methyl 2-[(2-chlorophenyl)methylsulfanyl]-7-methyl-4-oxidanylidene-5-pyridin-4-yl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: methyl 2-[(2-chlorophenyl)methylsulfanyl]-7-methyl-4-oxidanylidene-5-pyridin-4-yl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 2-[(2-chlorophenyl)methylsulfanyl]-7-methyl-4-oxo-5-(4-pyridyl)-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[(2-chlorophenyl)methylthio]-7-methyl-4-oxo-5-pyridin-4-yl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[(2-chlorophenyl)methylsulfanyl]-7-methyl-4-oxo-5-pyridin-4-yl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[(2-chlorobenzyl)thio]-4-keto-7-methyl-5-(4-pyridyl)-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C22H19ClN4O3S MolecularWeight: 454.92926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)NC(=NC2=O)SCC3=CC=CC=C3Cl)C4=CC=NC=C4)C(=O)OC

Isomeric SMILES

CC1=C(C(C2=C(N1)NC(=NC2=O)SCC3=CC=CC=C3Cl)C4=CC=NC=C4)C(=O)OC

InChI

InChI=1S/C22H19ClN4O3S/c1-12-16(21(29)30-2)17(13-7-9-24-10-8-13)18-19(25-12)26-22(27-20(18)28)31-11-14-5-3-4-6-15(14)23/h3-10,17H,11H2,1-2H3,(H2,25,26,27,28)