1-methyl-4-[4-[(2-nitrophenyl)methyl]piperazin-1-yl]pyrazolo[3,4-d]pyrimidine

Systemtic Name: 1-methyl-4-[4-[(2-nitrophenyl)methyl]piperazin-1-yl]pyrazolo[3,4-d]pyrimidine Openeye Name: 1-methyl-4-[4-[(2-nitrophenyl)methyl]piperazin-1-yl]pyrazolo[3,4-d]pyrimidine CAS Name: 1-methyl-4-[4-[(2-nitrophenyl)methyl]-1-piperazinyl]pyrazolo[3,4-d]pyrimidine IUPAC Name: 1-methyl-4-[4-[(2-nitrophenyl)methyl]piperazin-1-yl]pyrazolo[3,4-d]pyrimidine Traditional Name: 1-methyl-4-[4-(2-nitrobenzyl)piperazino]pyrazolo[3,4-d]pyrimidine Formula: C17H19N7O2 MolecularWeight: 353.37846

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)CC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)CC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C17H19N7O2/c1-21-16-14(10-20-21)17(19-12-18-16)23-8-6-22(7-9-23)11-13-4-2-3-5-15(13)24(25)26/h2-5,10,12H,6-9,11H2,1H3