1-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-3-prop-2-enyl-benzimidazole-2-thione

Systemtic Name: 1-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-3-prop-2-enyl-benzimidazole-2-thione Openeye Name: 1-allyl-3-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]benzimidazole-2-thione CAS Name: 1-[[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]methyl]-3-prop-2-enyl-2-benzimidazolethione IUPAC Name: 1-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-3-prop-2-enylbenzimidazole-2-thione Traditional Name: 1-allyl-3-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]methyl]benzimidazole-2-thione Formula: C21H24N8S MolecularWeight: 420.53386

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)CN4C5=CC=CC=C5N(C4=S)CC=C

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)CN4C5=CC=CC=C5N(C4=S)CC=C

InChI

InChI=1S/C21H24N8S/c1-3-8-28-17-6-4-5-7-18(17)29(21(28)30)15-26-9-11-27(12-10-26)20-16-13-24-25(2)19(16)22-14-23-20/h3-7,13-14H,1,8-12,15H2,2H3