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

Systemtic Name: 2-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-propyl-ethanamide Openeye Name: 2-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-propyl-acetamide CAS Name: 2-[[1-(3-chlorophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]-N-propylacetamide IUPAC Name: 2-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-propylacetamide Traditional Name: 2-[[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]thio]-N-propyl-acetamide Formula: C16H16ClN5OS MolecularWeight: 361.84914

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CSC1=NC=NC2=C1C=NN2C3=CC(=CC=C3)Cl

Isomeric SMILES

CCCNC(=O)CSC1=NC=NC2=C1C=NN2C3=CC(=CC=C3)Cl

InChI

InChI=1S/C16H16ClN5OS/c1-2-6-18-14(23)9-24-16-13-8-21-22(15(13)19-10-20-16)12-5-3-4-11(17)7-12/h3-5,7-8,10H,2,6,9H2,1H3,(H,18,23)