3-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-5-phenyl-1,3-oxazole-2-thione

Systemtic Name: 3-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-5-phenyl-1,3-oxazole-2-thione Openeye Name: 3-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-5-phenyl-oxazole-2-thione CAS Name: 3-[[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]methyl]-5-phenyl-2-oxazolethione IUPAC Name: 3-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-5-phenyl-1,3-oxazole-2-thione Traditional Name: 3-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]methyl]-5-phenyl-4-oxazoline-2-thione Formula: C20H21N7OS MolecularWeight: 407.49204

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)CN4C=C(OC4=S)C5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)CN4C=C(OC4=S)C5=CC=CC=C5

InChI

InChI=1S/C20H21N7OS/c1-24-18-16(11-23-24)19(22-13-21-18)26-9-7-25(8-10-26)14-27-12-17(28-20(27)29)15-5-3-2-4-6-15/h2-6,11-13H,7-10,14H2,1H3