1-(3,5-dimethylpiperidin-1-yl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propan-1-one

Systemtic Name: 1-(3,5-dimethylpiperidin-1-yl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propan-1-one Openeye Name: 1-(3,5-dimethyl-1-piperidyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propan-1-one CAS Name: 1-(3,5-dimethyl-1-piperidinyl)-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-1-propanone IUPAC Name: 1-(3,5-dimethylpiperidin-1-yl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylpropan-1-one Traditional Name: 1-(3,5-dimethylpiperidino)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]propan-1-one Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)C(C)SC2=NC=NC3=C2C=NN3C4=CC=CC=C4)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)C(C)SC2=NC=NC3=C2C=NN3C4=CC=CC=C4)C

InChI

InChI=1S/C21H25N5OS/c1-14-9-15(2)12-25(11-14)21(27)16(3)28-20-18-10-24-26(19(18)22-13-23-20)17-7-5-4-6-8-17/h4-8,10,13-16H,9,11-12H2,1-3H3