6-(azepan-1-yl)-1-methyl-4-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidine

Systemtic Name: 6-(azepan-1-yl)-1-methyl-4-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidine Openeye Name: 6-(azepan-1-yl)-1-methyl-4-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidine CAS Name: 6-(1-azepanyl)-1-methyl-4-(4-phenyl-1-piperazinyl)pyrazolo[3,4-d]pyrimidine IUPAC Name: 6-(azepan-1-yl)-1-methyl-4-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidine Traditional Name: 6-(azepan-1-yl)-1-methyl-4-(4-phenylpiperazino)pyrazolo[3,4-d]pyrimidine Formula: C22H29N7 MolecularWeight: 391.51256

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC(=N2)N3CCCCCC3)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C=N1)C(=NC(=N2)N3CCCCCC3)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C22H29N7/c1-26-20-19(17-23-26)21(25-22(24-20)29-11-7-2-3-8-12-29)28-15-13-27(14-16-28)18-9-5-4-6-10-18/h4-6,9-10,17H,2-3,7-8,11-16H2,1H3