ethyl 5-(3-ethoxy-4-methoxy-phenyl)-7-methyl-2-methylsulfanyl-4-oxidanylidene-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-(3-ethoxy-4-methoxy-phenyl)-7-methyl-2-methylsulfanyl-4-oxidanylidene-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-(3-ethoxy-4-methoxy-phenyl)-7-methyl-2-methylsulfanyl-4-oxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-(3-ethoxy-4-methoxyphenyl)-7-methyl-2-(methylthio)-4-oxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(3-ethoxy-4-methoxyphenyl)-7-methyl-2-methylsulfanyl-4-oxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-(3-ethoxy-4-methoxy-phenyl)-4-keto-7-methyl-2-(methylthio)-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C3=C(NC(=C2C(=O)OCC)C)NC(=NC3=O)SC)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2C3=C(NC(=C2C(=O)OCC)C)NC(=NC3=O)SC)OC

InChI

InChI=1S/C21H25N3O5S/c1-6-28-14-10-12(8-9-13(14)27-4)16-15(20(26)29-7-2)11(3)22-18-17(16)19(25)24-21(23-18)30-5/h8-10,16H,6-7H2,1-5H3,(H2,22,23,24,25)