1-(3-chlorophenyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propan-1-one

Systemtic Name: 1-(3-chlorophenyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propan-1-one Openeye Name: 1-(3-chlorophenyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propan-1-one CAS Name: 1-(3-chlorophenyl)-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-1-propanone IUPAC Name: 1-(3-chlorophenyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylpropan-1-one Traditional Name: 1-(3-chlorophenyl)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]propan-1-one Formula: C20H15ClN4OS MolecularWeight: 394.8773

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC(=CC=C1)Cl)SC2=NC=NC3=C2C=NN3C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)C1=CC(=CC=C1)Cl)SC2=NC=NC3=C2C=NN3C4=CC=CC=C4

InChI

InChI=1S/C20H15ClN4OS/c1-13(18(26)14-6-5-7-15(21)10-14)27-20-17-11-24-25(19(17)22-12-23-20)16-8-3-2-4-9-16/h2-13H,1H3