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

Systemtic Name: 1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenylsulfanyl-propan-1-one Openeye Name: 1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenylsulfanyl-propan-1-one CAS Name: 1-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-2-(phenylthio)-1-propanone IUPAC Name: 1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenylsulfanylpropan-1-one Traditional Name: 1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]-2-(phenylthio)propan-1-one Formula: C19H22N6OS MolecularWeight: 382.48258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=NC=NC3=C2C=NN3C)SC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)N1CCN(CC1)C2=NC=NC3=C2C=NN3C)SC4=CC=CC=C4

InChI

InChI=1S/C19H22N6OS/c1-14(27-15-6-4-3-5-7-15)19(26)25-10-8-24(9-11-25)18-16-12-22-23(2)17(16)20-13-21-18/h3-7,12-14H,8-11H2,1-2H3