Methyl 2-mercapto-1-(2-methoxyethyl)-7-methyl-4-oxo-1,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylate - CAS 938009-99-5
Catalog: |
BB042795 |
Product Name: |
Methyl 2-mercapto-1-(2-methoxyethyl)-7-methyl-4-oxo-1,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylate |
CAS: |
938009-99-5 |
Synonyms: |
Methyl 1-(2-methoxyethyl)-7-methyl-4-oxo-2-sulfanyl-1,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylate; BBL040810; SBB024047 |
IUPAC Name: | methyl 1-(2-methoxyethyl)-7-methyl-4-oxo-2-sulfanylidenepyrido[2,3-d]pyrimidine-5-carboxylate |
Description: | Methyl 2-mercapto-1-(2-methoxyethyl)-7-methyl-4-oxo-1,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylate (CAS# 938009-99-5 ) is a useful research chemical. |
Molecular Weight: | 309.34 |
Molecular Formula: | C13H15N3O4S |
Canonical SMILES: | CC1=CC(=C2C(=O)NC(=S)N(C2=N1)CCOC)C(=O)OC |
InChI: | InChI=1S/C13H15N3O4S/c1-7-6-8(12(18)20-3)9-10(14-7)16(4-5-19-2)13(21)15-11(9)17/h6H,4-5H2,1-3H3,(H,15,17,21) |
InChI Key: | DSIAYRFORCXPSA-UHFFFAOYSA-N |
Complexity: | 445 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 309.07832714 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 309.07832714 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 113 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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