3-cyclopropyl-1-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-4-phenyl-imidazole-2-thione

Systemtic Name: 3-cyclopropyl-1-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-4-phenyl-imidazole-2-thione Openeye Name: 3-cyclopropyl-1-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-4-phenyl-imidazole-2-thione CAS Name: 3-cyclopropyl-1-[[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]methyl]-4-phenyl-2-imidazolethione IUPAC Name: 3-cyclopropyl-1-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-4-phenylimidazole-2-thione Traditional Name: 3-cyclopropyl-1-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]methyl]-4-phenyl-4-imidazoline-2-thione Formula: C23H26N8S MolecularWeight: 446.57114

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)CN4C=C(N(C4=S)C5CC5)C6=CC=CC=C6

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)CN4C=C(N(C4=S)C5CC5)C6=CC=CC=C6

InChI

InChI=1S/C23H26N8S/c1-27-21-19(13-26-27)22(25-15-24-21)29-11-9-28(10-12-29)16-30-14-20(17-5-3-2-4-6-17)31(23(30)32)18-7-8-18/h2-6,13-15,18H,7-12,16H2,1H3