2-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-cyclopentyl-ethanamide

Systemtic Name: 2-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-cyclopentyl-ethanamide Openeye Name: 2-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-cyclopentyl-acetamide CAS Name: 2-[[1-(3-chlorophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]-N-cyclopentylacetamide IUPAC Name: 2-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-cyclopentylacetamide Traditional Name: 2-[[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]thio]-N-cyclopentyl-acetamide Formula: C18H18ClN5OS MolecularWeight: 387.88642

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)CSC2=NC=NC3=C2C=NN3C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CCC(C1)NC(=O)CSC2=NC=NC3=C2C=NN3C4=CC(=CC=C4)Cl

InChI

InChI=1S/C18H18ClN5OS/c19-12-4-3-7-14(8-12)24-17-15(9-22-24)18(21-11-20-17)26-10-16(25)23-13-5-1-2-6-13/h3-4,7-9,11,13H,1-2,5-6,10H2,(H,23,25)