methyl 2-butylsulfanyl-7-methyl-5-(2-methylphenyl)-4-oxidanylidene-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: methyl 2-butylsulfanyl-7-methyl-5-(2-methylphenyl)-4-oxidanylidene-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 2-butylsulfanyl-7-methyl-5-(o-tolyl)-4-oxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-(butylthio)-7-methyl-5-(2-methylphenyl)-4-oxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 2-butylsulfanyl-7-methyl-5-(2-methylphenyl)-4-oxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-(butylthio)-4-keto-7-methyl-5-(o-tolyl)-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC(=O)C2=C(N1)NC(=C(C2C3=CC=CC=C3C)C(=O)OC)C

Isomeric SMILES

CCCCSC1=NC(=O)C2=C(N1)NC(=C(C2C3=CC=CC=C3C)C(=O)OC)C

InChI

InChI=1S/C21H25N3O3S/c1-5-6-11-28-21-23-18-17(19(25)24-21)16(14-10-8-7-9-12(14)2)15(13(3)22-18)20(26)27-4/h7-10,16H,5-6,11H2,1-4H3,(H2,22,23,24,25)