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

Systemtic Name: 1-(2-ethylpiperidin-1-yl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propan-1-one Openeye Name: 1-(2-ethyl-1-piperidyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propan-1-one CAS Name: 1-(2-ethyl-1-piperidinyl)-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-1-propanone IUPAC Name: 1-(2-ethylpiperidin-1-yl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylpropan-1-one Traditional Name: 1-(2-ethylpiperidino)-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:

CCC1CCCCN1C(=O)C(C)SC2=NC=NC3=C2C=NN3C4=CC=CC=C4

Isomeric SMILES

CCC1CCCCN1C(=O)C(C)SC2=NC=NC3=C2C=NN3C4=CC=CC=C4

InChI

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