4-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-methyl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-methyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[(3S)-3-(1H-benzimidazol-2-yl)-1-piperidyl]-1-methyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[(3S)-3-(1H-benzimidazol-2-yl)-1-piperidinyl]-1-methylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-methylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-[(3S)-3-(1H-benzimidazol-2-yl)piperidino]-1-methyl-pyrazolo[3,4-d]pyrimidine Formula: C18H19N7 MolecularWeight: 333.39036

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)N3CCCC(C3)C4=NC5=CC=CC=C5N4

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)N3CCC[C@@H](C3)C4=NC5=CC=CC=C5N4

InChI

InChI=1S/C18H19N7/c1-24-17-13(9-21-24)18(20-11-19-17)25-8-4-5-12(10-25)16-22-14-6-2-3-7-15(14)23-16/h2-3,6-7,9,11-12H,4-5,8,10H2,1H3,(H,22,23)/t12-/m0/s1