Methyl 1-cyclopropyl-2-mercapto-7-methyl-4-oxo-1,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylate - CAS 938012-31-8
Catalog: |
BB049127 |
Product Name: |
Methyl 1-cyclopropyl-2-mercapto-7-methyl-4-oxo-1,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylate |
CAS: |
938012-31-8 |
Synonyms: |
Methyl 1-cyclopropyl-7-methyl-4-oxo-2-sulfanyl-1,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylate; Methyl 1-cyclopropyl-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-cyclopropyl-1,2,3,4-tetrahydro-7-methyl-4-oxo-2-thioxo-, methyl ester; methyl 1-cyclopropyl-7-methyl-4-oxo-2-sulfanyl-1H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate |
IUPAC Name: | methyl 1-cyclopropyl-7-methyl-4-oxo-2-sulfanylidenepyrido[2,3-d]pyrimidine-5-carboxylate |
Description: | Methyl 1-cyclopropyl-2-mercapto-7-methyl-4-oxo-1,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylate (CAS# 938012-31-8 ) is a useful research chemical. |
Molecular Weight: | 291.33 |
Molecular Formula: | C13H13N3O3S |
Canonical SMILES: | CC1=CC(=C2C(=O)NC(=S)N(C2=N1)C3CC3)C(=O)OC |
InChI: | InChI=1S/C13H13N3O3S/c1-6-5-8(12(18)19-2)9-10(14-6)16(7-3-4-7)13(20)15-11(9)17/h5,7H,3-4H2,1-2H3,(H,15,17,20) |
InChI Key: | BGHUQJRIEZLSNA-UHFFFAOYSA-N |
Boiling Point: | 495.1±55.0 °C at 760 mmHg |
Purity: | ≥ 95 % |
Density: | 1.6±0.1 g/cm3 |
Complexity: | 466 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 291.06776246 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 291.06776246 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 104 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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