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

Systemtic Name: 2-[1-(2-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-1-phenyl-ethanone Openeye Name: 2-[1-(2-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-1-phenyl-ethanone CAS Name: 2-[[1-(2-chlorophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]-1-phenylethanone IUPAC Name: 2-[1-(2-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-1-phenylethanone Traditional Name: 2-[[1-(2-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]thio]-1-phenyl-ethanone Formula: C19H13ClN4OS MolecularWeight: 380.85072

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4Cl

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4Cl

InChI

InChI=1S/C19H13ClN4OS/c20-15-8-4-5-9-16(15)24-18-14(10-23-24)19(22-12-21-18)26-11-17(25)13-6-2-1-3-7-13/h1-10,12H,11H2