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

Systemtic Name: methyl 7-methyl-2-[(4-nitrophenyl)methylsulfanyl]-4-oxidanylidene-5-thiophen-2-yl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 7-methyl-2-[(4-nitrophenyl)methylsulfanyl]-4-oxo-5-(2-thienyl)-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate CAS Name: 7-methyl-2-[(4-nitrophenyl)methylthio]-4-oxo-5-thiophen-2-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-thiophen-2-yl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-7-methyl-2-[(4-nitrobenzyl)thio]-5-(2-thienyl)-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C21H18N4O5S2 MolecularWeight: 470.52142

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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=CS4)C(=O)OC

Isomeric SMILES

CC1=C(C(C2=C(N1)NC(=NC2=O)SCC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CS4)C(=O)OC

InChI

InChI=1S/C21H18N4O5S2/c1-11-15(20(27)30-2)16(14-4-3-9-31-14)17-18(22-11)23-21(24-19(17)26)32-10-12-5-7-13(8-6-12)25(28)29/h3-9,16H,10H2,1-2H3,(H2,22,23,24,26)