Methyl 1-(2,5-dimethylphenyl)-2-mercapto-7-methyl-4-oxo-1,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylate - CAS 1011360-05-6
Catalog: |
BB049125 |
Product Name: |
Methyl 1-(2,5-dimethylphenyl)-2-mercapto-7-methyl-4-oxo-1,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylate |
CAS: |
1011360-05-6 |
Synonyms: |
methyl 1-(2,5-dimethylphenyl)-7-methyl-4-oxo-2-sulfanyl-1,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylate; Methyl 1-(2,5-dimethylphenyl)-7-methyl-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-5-carboxylate; Pyrido[2,3-d]pyrimidine-5-carboxylic acid, 1-(2,5-dimethylphenyl)-1,2,3,4-tetrahydro-7-methyl-4-oxo-2-thioxo-, methyl ester; methyl 1-(2,5-dimethylphenyl)-7-methyl-4-oxo-2-sulfanyl-1H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate |
IUPAC Name: | methyl 1-(2,5-dimethylphenyl)-7-methyl-4-oxo-2-sulfanylidenepyrido[2,3-d]pyrimidine-5-carboxylate |
Description: | Methyl 1-(2,5-dimethylphenyl)-2-mercapto-7-methyl-4-oxo-1,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylate (CAS# 1011360-05-6 ) is a useful research chemical. |
Molecular Weight: | 355.41 |
Molecular Formula: | C18H17N3O3S |
Canonical SMILES: | CC1=CC(=C(C=C1)C)N2C3=NC(=CC(=C3C(=O)NC2=S)C(=O)OC)C |
InChI: | InChI=1S/C18H17N3O3S/c1-9-5-6-10(2)13(7-9)21-15-14(16(22)20-18(21)25)12(17(23)24-4)8-11(3)19-15/h5-8H,1-4H3,(H,20,22,25) |
InChI Key: | MWZYYMJDFUIGLI-UHFFFAOYSA-N |
Boiling Point: | 555.0±60.0 °C at 760 mmHg |
Density: | 1.4±0.1 g/cm3 |
Complexity: | 570 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 355.09906259 |
Formal Charge: | 0 |
Heavy Atom Count: | 25 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 355.09906259 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 104 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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