1-(3-methylphenyl)-4-[4-(4-nitrophenyl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidine

Systemtic Name: 1-(3-methylphenyl)-4-[4-(4-nitrophenyl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidine Openeye Name: 1-(m-tolyl)-4-[4-(4-nitrophenyl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidine CAS Name: 1-(3-methylphenyl)-4-[4-(4-nitrophenyl)-1-piperazinyl]pyrazolo[3,4-d]pyrimidine IUPAC Name: 1-(3-methylphenyl)-4-[4-(4-nitrophenyl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidine Traditional Name: 1-(m-tolyl)-4-[4-(4-nitrophenyl)piperazino]pyrazolo[3,4-d]pyrimidine Formula: C22H21N7O2 MolecularWeight: 415.44784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C3=C(C=N2)C(=NC=N3)N4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)N2C3=C(C=N2)C(=NC=N3)N4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

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