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

Systemtic Name: (phenylmethyl) 4-azanyl-7-methyl-5-(3-nitro-4-oxidanyl-phenyl)-2-sulfanylidene-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate Openeye Name: benzyl 4-amino-5-(4-hydroxy-3-nitro-phenyl)-7-methyl-2-thioxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-amino-5-(4-hydroxy-3-nitrophenyl)-7-methyl-2-sulfanylidene-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-amino-5-(4-hydroxy-3-nitrophenyl)-7-methyl-2-sulfanylidene-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-amino-5-(4-hydroxy-3-nitro-phenyl)-7-methyl-2-thioxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylic acid benzyl ester Formula: C22H19N5O5S MolecularWeight: 465.48176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C22H19N5O5S/c1-11-16(21(29)32-10-12-5-3-2-4-6-12)17(13-7-8-15(28)14(9-13)27(30)31)18-19(23)25-22(33)26-20(18)24-11/h2-9,17,28H,10H2,1H3,(H4,23,24,25,26,33)