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

Systemtic Name: 3-methyl-7-(3-methylbut-2-enyl)-1-[2-(4-nitrophenyl)ethyl]-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 3-methyl-7-(3-methylbut-2-enyl)-1-[2-(4-nitrophenyl)ethyl]-8-piperazin-1-yl-purine-2,6-dione CAS Name: 3-methyl-7-(3-methylbut-2-enyl)-1-[2-(4-nitrophenyl)ethyl]-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 3-methyl-7-(3-methylbut-2-enyl)-1-[2-(4-nitrophenyl)ethyl]-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 3-methyl-7-(3-methylbut-2-enyl)-1-[2-(4-nitrophenyl)ethyl]-8-piperazino-xanthine Formula: C23H29N7O4 MolecularWeight: 467.52086

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)CCC4=CC=C(C=C4)[N+](=O)[O-])C)C

Isomeric SMILES

CC(=CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)CCC4=CC=C(C=C4)[N+](=O)[O-])C)C

InChI

InChI=1S/C23H29N7O4/c1-16(2)8-12-28-19-20(25-22(28)27-14-10-24-11-15-27)26(3)23(32)29(21(19)31)13-9-17-4-6-18(7-5-17)30(33)34/h4-8,24H,9-15H2,1-3H3