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

Systemtic Name: methyl 7-methyl-2-[(4-nitrophenyl)methylsulfanyl]-4-oxidanylidene-5-pyridin-4-yl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 7-methyl-2-[(4-nitrophenyl)methylsulfanyl]-4-oxo-5-(4-pyridyl)-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate CAS Name: 7-methyl-2-[(4-nitrophenyl)methylthio]-4-oxo-5-pyridin-4-yl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 7-methyl-2-[(4-nitrophenyl)methylsulfanyl]-4-oxo-5-pyridin-4-yl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-7-methyl-2-[(4-nitrobenzyl)thio]-5-(4-pyridyl)-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C22H19N5O5S MolecularWeight: 465.48176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)NC(=NC2=O)SCC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=NC=C4)C(=O)OC

Isomeric SMILES

CC1=C(C(C2=C(N1)NC(=NC2=O)SCC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=NC=C4)C(=O)OC

InChI

InChI=1S/C22H19N5O5S/c1-12-16(21(29)32-2)17(14-7-9-23-10-8-14)18-19(24-12)25-22(26-20(18)28)33-11-13-3-5-15(6-4-13)27(30)31/h3-10,17H,11H2,1-2H3,(H2,24,25,26,28)