8-ethyl-2-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]-5-oxidanylidene-pyrido[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 8-ethyl-2-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]-5-oxidanylidene-pyrido[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 8-ethyl-2-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]-5-oxo-pyrido[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 8-ethyl-2-[4-[(4-nitrophenyl)methyl]-1-piperazinyl]-5-oxo-6-pyrido[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 8-ethyl-2-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 8-ethyl-5-keto-2-[4-(4-nitrobenzyl)piperazino]pyrido[2,3-d]pyrimidine-6-carboxylic acid Formula: C21H22N6O5 MolecularWeight: 438.43658

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)CC4=CC=C(C=C4)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)CC4=CC=C(C=C4)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C21H22N6O5/c1-2-25-13-17(20(29)30)18(28)16-11-22-21(23-19(16)25)26-9-7-24(8-10-26)12-14-3-5-15(6-4-14)27(31)32/h3-6,11,13H,2,7-10,12H2,1H3,(H,29,30)