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

Systemtic Name: 2-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[1-(3-chlorophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]thio]-1-pyrrolidino-ethanone Formula: C17H16ClN5OS MolecularWeight: 373.85984

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=NC=NC3=C2C=NN3C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=NC=NC3=C2C=NN3C4=CC(=CC=C4)Cl

InChI

InChI=1S/C17H16ClN5OS/c18-12-4-3-5-13(8-12)23-16-14(9-21-23)17(20-11-19-16)25-10-15(24)22-6-1-2-7-22/h3-5,8-9,11H,1-2,6-7,10H2