3-methyl-7-[(4-nitrophenyl)methyl]-8-[4-(phenylcarbonyl)piperazin-1-yl]purine-2,6-dione

Systemtic Name: 3-methyl-7-[(4-nitrophenyl)methyl]-8-[4-(phenylcarbonyl)piperazin-1-yl]purine-2,6-dione Openeye Name: 8-(4-benzoylpiperazin-1-yl)-3-methyl-7-[(4-nitrophenyl)methyl]purine-2,6-dione CAS Name: 8-(4-benzoyl-1-piperazinyl)-3-methyl-7-[(4-nitrophenyl)methyl]purine-2,6-dione IUPAC Name: 8-(4-benzoylpiperazin-1-yl)-3-methyl-7-[(4-nitrophenyl)methyl]purine-2,6-dione Traditional Name: 8-(4-benzoylpiperazino)-3-methyl-7-(4-nitrobenzyl)xanthine Formula: C24H23N7O5 MolecularWeight: 489.48332

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)C(=O)C4=CC=CC=C4)CC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)C(=O)C4=CC=CC=C4)CC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C24H23N7O5/c1-27-20-19(21(32)26-24(27)34)30(15-16-7-9-18(10-8-16)31(35)36)23(25-20)29-13-11-28(12-14-29)22(33)17-5-3-2-4-6-17/h2-10H,11-15H2,1H3,(H,26,32,34)