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

Systemtic Name: 3-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-benzoxazole-2-thione Openeye Name: 3-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-benzoxazole-2-thione CAS Name: 3-[[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]methyl]-1,3-benzoxazole-2-thione IUPAC Name: 3-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-benzoxazole-2-thione Traditional Name: 3-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]methyl]-1,3-benzoxazole-2-thione Formula: C18H19N7OS MolecularWeight: 381.45476

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)CN4C5=CC=CC=C5OC4=S

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)CN4C5=CC=CC=C5OC4=S

InChI

InChI=1S/C18H19N7OS/c1-22-16-13(10-21-22)17(20-11-19-16)24-8-6-23(7-9-24)12-25-14-4-2-3-5-15(14)26-18(25)27/h2-5,10-11H,6-9,12H2,1H3