2-[1-(2-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[1-(2-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-1-piperidin-1-yl-ethanone Openeye Name: 2-[1-(2-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-1-(1-piperidyl)ethanone CAS Name: 2-[[1-(2-chlorophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[1-(2-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-1-piperidin-1-ylethanone Traditional Name: 2-[[1-(2-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]thio]-1-piperidino-ethanone Formula: C18H18ClN5OS MolecularWeight: 387.88642

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4Cl

Isomeric SMILES

C1CCN(CC1)C(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4Cl

InChI

InChI=1S/C18H18ClN5OS/c19-14-6-2-3-7-15(14)24-17-13(10-22-24)18(21-12-20-17)26-11-16(25)23-8-4-1-5-9-23/h2-3,6-7,10,12H,1,4-5,8-9,11H2