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

Systemtic Name: 1,3-dimethyl-7-[(4-nitrophenyl)methyl]-8-[4-(phenylmethyl)piperazin-1-yl]purine-2,6-dione Openeye Name: 8-(4-benzylpiperazin-1-yl)-1,3-dimethyl-7-[(4-nitrophenyl)methyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[(4-nitrophenyl)methyl]-8-[4-(phenylmethyl)-1-piperazinyl]purine-2,6-dione IUPAC Name: 8-(4-benzylpiperazin-1-yl)-1,3-dimethyl-7-[(4-nitrophenyl)methyl]purine-2,6-dione Traditional Name: 8-(4-benzylpiperazino)-1,3-dimethyl-7-(4-nitrobenzyl)xanthine Formula: C25H27N7O4 MolecularWeight: 489.52638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)CC4=CC=CC=C4)CC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)CC4=CC=CC=C4)CC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H27N7O4/c1-27-22-21(23(33)28(2)25(27)34)31(17-19-8-10-20(11-9-19)32(35)36)24(26-22)30-14-12-29(13-15-30)16-18-6-4-3-5-7-18/h3-11H,12-17H2,1-2H3