methyl 1-butyl-7-(1,3-dimethylpyrazol-4-yl)-4-oxidanylidene-2-sulfanylidene-pyrido[2,3-d]pyrimidine-5-carboxylate

Systemtic Name: methyl 1-butyl-7-(1,3-dimethylpyrazol-4-yl)-4-oxidanylidene-2-sulfanylidene-pyrido[2,3-d]pyrimidine-5-carboxylate Openeye Name: methyl 1-butyl-7-(1,3-dimethylpyrazol-4-yl)-4-oxo-2-thioxo-pyrido[2,3-d]pyrimidine-5-carboxylate CAS Name: 1-butyl-7-(1,3-dimethyl-4-pyrazolyl)-4-oxo-2-sulfanylidene-5-pyrido[2,3-d]pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 1-butyl-7-(1,3-dimethylpyrazol-4-yl)-4-oxo-2-sulfanylidenepyrido[2,3-d]pyrimidine-5-carboxylate Traditional Name: 1-butyl-7-(1,3-dimethylpyrazol-4-yl)-4-keto-2-thioxo-pyrido[2,3-d]pyrimidine-5-carboxylic acid methyl ester Formula: C18H21N5O3S MolecularWeight: 387.45604

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=CC(=N2)C3=CN(N=C3C)C)C(=O)OC)C(=O)NC1=S

Isomeric SMILES

CCCCN1C2=C(C(=CC(=N2)C3=CN(N=C3C)C)C(=O)OC)C(=O)NC1=S

InChI

InChI=1S/C18H21N5O3S/c1-5-6-7-23-15-14(16(24)20-18(23)27)11(17(25)26-4)8-13(19-15)12-9-22(3)21-10(12)2/h8-9H,5-7H2,1-4H3,(H,20,24,27)