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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=NC(=S)NC(=C2C1C3=CC(=CC=C3)[N+](=O)[O-])N)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(NC2=NC(=S)NC(=C2[C@H]1C3=CC(=CC=C3)[N+](=O)[O-])N)C4=CC=CC=C4

InChI

InChI=1S/C22H19N5O4S/c1-2-31-21(28)16-15(13-9-6-10-14(11-13)27(29)30)17-19(23)25-22(32)26-20(17)24-18(16)12-7-4-3-5-8-12/h3-11,15H,2H2,1H3,(H4,23,24,25,26,32)/t15-/m0/s1