1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-(phenylmethylsulfanyl)propan-1-one

Systemtic Name: 1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-(phenylmethylsulfanyl)propan-1-one Openeye Name: 2-benzylsulfanyl-1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one CAS Name: 1-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-2-(phenylmethylthio)-1-propanone IUPAC Name: 2-benzylsulfanyl-1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one Traditional Name: 2-(benzylthio)-1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]propan-1-one Formula: C20H24N6OS MolecularWeight: 396.50916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=NC=NC3=C2C=NN3C)SCC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)N1CCN(CC1)C2=NC=NC3=C2C=NN3C)SCC4=CC=CC=C4

InChI

InChI=1S/C20H24N6OS/c1-15(28-13-16-6-4-3-5-7-16)20(27)26-10-8-25(9-11-26)19-17-12-23-24(2)18(17)21-14-22-19/h3-7,12,14-15H,8-11,13H2,1-2H3