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

Systemtic Name: N-(3-bromophenyl)-2-[1-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-ethanamide Openeye Name: 2-(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(3-bromophenyl)acetamide CAS Name: N-(3-bromophenyl)-2-[[1-(phenylmethyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]acetamide IUPAC Name: 2-(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(3-bromophenyl)acetamide Traditional Name: 2-[(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)thio]-N-(3-bromophenyl)acetamide Formula: C20H16BrN5OS MolecularWeight: 454.34294

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C=N2)C(=NC=N3)SCC(=O)NC4=CC(=CC=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=N2)C(=NC=N3)SCC(=O)NC4=CC(=CC=C4)Br

InChI

InChI=1S/C20H16BrN5OS/c21-15-7-4-8-16(9-15)25-18(27)12-28-20-17-10-24-26(19(17)22-13-23-20)11-14-5-2-1-3-6-14/h1-10,13H,11-12H2,(H,25,27)