methyl 1-cyclopropyl-7-methyl-2-[(3-methylphenyl)methylsulfanyl]-4-oxidanylidene-pyrido[2,3-d]pyrimidine-5-carboxylate

Systemtic Name: methyl 1-cyclopropyl-7-methyl-2-[(3-methylphenyl)methylsulfanyl]-4-oxidanylidene-pyrido[2,3-d]pyrimidine-5-carboxylate Openeye Name: methyl 1-cyclopropyl-7-methyl-2-(m-tolylmethylsulfanyl)-4-oxo-pyrido[2,3-d]pyrimidine-5-carboxylate CAS Name: 1-cyclopropyl-7-methyl-2-[(3-methylphenyl)methylthio]-4-oxo-5-pyrido[2,3-d]pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 1-cyclopropyl-7-methyl-2-[(3-methylphenyl)methylsulfanyl]-4-oxopyrido[2,3-d]pyrimidine-5-carboxylate Traditional Name: 1-cyclopropyl-4-keto-7-methyl-2-[(3-methylbenzyl)thio]pyrido[2,3-d]pyrimidine-5-carboxylic acid methyl ester Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NC(=O)C3=C(N2C4CC4)N=C(C=C3C(=O)OC)C

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NC(=O)C3=C(N2C4CC4)N=C(C=C3C(=O)OC)C

InChI

InChI=1S/C21H21N3O3S/c1-12-5-4-6-14(9-12)11-28-21-23-19(25)17-16(20(26)27-3)10-13(2)22-18(17)24(21)15-7-8-15/h4-6,9-10,15H,7-8,11H2,1-3H3