ethyl 5-(3-ethoxy-4-oxidanyl-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-oxidanyl-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-hydroxy-phenyl)-7-methyl-2-methylsulfanyl-4-oxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-(3-ethoxy-4-hydroxyphenyl)-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-hydroxyphenyl)-7-methyl-2-methylsulfanyl-4-oxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-(3-ethoxy-4-hydroxy-phenyl)-4-keto-7-methyl-2-(methylthio)-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C20H23N3O5S MolecularWeight: 417.47872

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O5S/c1-5-27-13-9-11(7-8-12(13)24)15-14(19(26)28-6-2)10(3)21-17-16(15)18(25)23-20(22-17)29-4/h7-9,15,24H,5-6H2,1-4H3,(H2,21,22,23,25)