(phenylmethyl) 4-azanyl-7-methyl-5-(4-nitrophenyl)-2-sulfanylidene-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: (phenylmethyl) 4-azanyl-7-methyl-5-(4-nitrophenyl)-2-sulfanylidene-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate Openeye Name: benzyl 4-amino-7-methyl-5-(4-nitrophenyl)-2-thioxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-amino-7-methyl-5-(4-nitrophenyl)-2-sulfanylidene-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-amino-7-methyl-5-(4-nitrophenyl)-2-sulfanylidene-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-amino-7-methyl-5-(4-nitrophenyl)-2-thioxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylic acid benzyl ester Formula: C22H19N5O4S MolecularWeight: 449.48236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(NC(=S)N=C2N1)N)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(C2=C(NC(=S)N=C2N1)N)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C22H19N5O4S/c1-12-16(21(28)31-11-13-5-3-2-4-6-13)17(14-7-9-15(10-8-14)27(29)30)18-19(23)25-22(32)26-20(18)24-12/h2-10,17H,11H2,1H3,(H4,23,24,25,26,32)