6-[4-(3-chlorophenyl)piperazin-1-yl]-1-methyl-4-piperidin-1-yl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 6-[4-(3-chlorophenyl)piperazin-1-yl]-1-methyl-4-piperidin-1-yl-pyrazolo[3,4-d]pyrimidine Openeye Name: 6-[4-(3-chlorophenyl)piperazin-1-yl]-1-methyl-4-(1-piperidyl)pyrazolo[3,4-d]pyrimidine CAS Name: 6-[4-(3-chlorophenyl)-1-piperazinyl]-1-methyl-4-(1-piperidinyl)pyrazolo[3,4-d]pyrimidine IUPAC Name: 6-[4-(3-chlorophenyl)piperazin-1-yl]-1-methyl-4-piperidin-1-ylpyrazolo[3,4-d]pyrimidine Traditional Name: 6-[4-(3-chlorophenyl)piperazino]-1-methyl-4-piperidino-pyrazolo[3,4-d]pyrimidine Formula: C21H26ClN7 MolecularWeight: 411.93104

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC(=N2)N3CCN(CC3)C4=CC(=CC=C4)Cl)N5CCCCC5

Isomeric SMILES

CN1C2=C(C=N1)C(=NC(=N2)N3CCN(CC3)C4=CC(=CC=C4)Cl)N5CCCCC5

InChI

InChI=1S/C21H26ClN7/c1-26-19-18(15-23-26)20(28-8-3-2-4-9-28)25-21(24-19)29-12-10-27(11-13-29)17-7-5-6-16(22)14-17/h5-7,14-15H,2-4,8-13H2,1H3