9-(3-methylphenyl)-6-[4-(4-nitrophenyl)piperazin-1-yl]purine

Systemtic Name: 9-(3-methylphenyl)-6-[4-(4-nitrophenyl)piperazin-1-yl]purine Openeye Name: 9-(m-tolyl)-6-[4-(4-nitrophenyl)piperazin-1-yl]purine CAS Name: 9-(3-methylphenyl)-6-[4-(4-nitrophenyl)-1-piperazinyl]purine IUPAC Name: 9-(3-methylphenyl)-6-[4-(4-nitrophenyl)piperazin-1-yl]purine Traditional Name: 9-(m-tolyl)-6-[4-(4-nitrophenyl)piperazino]purine Formula: C22H21N7O2 MolecularWeight: 415.44784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C=NC3=C2N=CN=C3N4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)N2C=NC3=C2N=CN=C3N4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H21N7O2/c1-16-3-2-4-19(13-16)28-15-25-20-21(23-14-24-22(20)28)27-11-9-26(10-12-27)17-5-7-18(8-6-17)29(30)31/h2-8,13-15H,9-12H2,1H3