2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-1-[4-(phenylmethyl)piperidin-1-yl]propan-1-one

Systemtic Name: 2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-1-[4-(phenylmethyl)piperidin-1-yl]propan-1-one Openeye Name: 1-(4-benzyl-1-piperidyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propan-1-one CAS Name: 2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-1-[4-(phenylmethyl)-1-piperidinyl]-1-propanone IUPAC Name: 1-(4-benzylpiperidin-1-yl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylpropan-1-one Traditional Name: 1-(4-benzylpiperidino)-2-[(1-methylpyrazolo[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:

CC(C(=O)N1CCC(CC1)CC2=CC=CC=C2)SC3=NC=NC4=C3C=NN4C

Isomeric SMILES

CC(C(=O)N1CCC(CC1)CC2=CC=CC=C2)SC3=NC=NC4=C3C=NN4C

InChI

InChI=1S/C21H25N5OS/c1-15(28-20-18-13-24-25(2)19(18)22-14-23-20)21(27)26-10-8-17(9-11-26)12-16-6-4-3-5-7-16/h3-7,13-15,17H,8-12H2,1-2H3