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

Systemtic Name: N-[1-(4-bromophenyl)ethyl]-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-[1-(4-bromophenyl)ethyl]-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-[1-(4-bromophenyl)ethyl]-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]acetamide IUPAC Name: N-[1-(4-bromophenyl)ethyl]-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-[1-(4-bromophenyl)ethyl]-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetamide Formula: C21H18BrN5OS MolecularWeight: 468.36952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)Br)NC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

Isomeric SMILES

CC(C1=CC=C(C=C1)Br)NC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

InChI

InChI=1S/C21H18BrN5OS/c1-14(15-7-9-16(22)10-8-15)26-19(28)12-29-21-18-11-25-27(20(18)23-13-24-21)17-5-3-2-4-6-17/h2-11,13-14H,12H2,1H3,(H,26,28)