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

Systemtic Name: 1-(4-methoxyphenyl)-4-[4-(4-nitrophenyl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidine Openeye Name: 1-(4-methoxyphenyl)-4-[4-(4-nitrophenyl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidine CAS Name: 1-(4-methoxyphenyl)-4-[4-(4-nitrophenyl)-1-piperazinyl]pyrazolo[3,4-d]pyrimidine IUPAC Name: 1-(4-methoxyphenyl)-4-[4-(4-nitrophenyl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidine Traditional Name: 1-(4-methoxyphenyl)-4-[4-(4-nitrophenyl)piperazino]pyrazolo[3,4-d]pyrimidine Formula: C22H21N7O3 MolecularWeight: 431.44724

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)N4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)N4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H21N7O3/c1-32-19-8-6-17(7-9-19)28-22-20(14-25-28)21(23-15-24-22)27-12-10-26(11-13-27)16-2-4-18(5-3-16)29(30)31/h2-9,14-15H,10-13H2,1H3