2-[(6-azanyl-2-phenyl-7H-purin-8-yl)sulfanyl]-1-(4-bromophenyl)ethanone

Systemtic Name: 2-[(6-azanyl-2-phenyl-7H-purin-8-yl)sulfanyl]-1-(4-bromophenyl)ethanone Openeye Name: 2-[(6-amino-2-phenyl-7H-purin-8-yl)sulfanyl]-1-(4-bromophenyl)ethanone CAS Name: 2-[(6-amino-2-phenyl-7H-purin-8-yl)thio]-1-(4-bromophenyl)ethanone IUPAC Name: 2-[(6-amino-2-phenyl-7H-purin-8-yl)sulfanyl]-1-(4-bromophenyl)ethanone Traditional Name: 2-[(6-amino-2-phenyl-7H-purin-8-yl)thio]-1-(4-bromophenyl)ethanone Formula: C19H14BrN5OS MolecularWeight: 440.31636

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=C(C(=N2)N)NC(=N3)SCC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=C(C(=N2)N)NC(=N3)SCC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C19H14BrN5OS/c20-13-8-6-11(7-9-13)14(26)10-27-19-22-15-16(21)23-17(24-18(15)25-19)12-4-2-1-3-5-12/h1-9H,10H2,(H3,21,22,23,24,25)