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

Systemtic Name: 1-[4-[(6-azanyl-7H-purin-8-yl)sulfanyl]phenyl]ethanone Openeye Name: 1-[4-[(6-amino-7H-purin-8-yl)sulfanyl]phenyl]ethanone CAS Name: 1-[4-[(6-amino-7H-purin-8-yl)thio]phenyl]ethanone IUPAC Name: 1-[4-[(6-amino-7H-purin-8-yl)sulfanyl]phenyl]ethanone Traditional Name: 1-[4-[(6-amino-7H-purin-8-yl)thio]phenyl]ethanone Formula: C13H11N5OS MolecularWeight: 285.32434

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)SC2=NC3=C(N2)C(=NC=N3)N

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)SC2=NC3=C(N2)C(=NC=N3)N

InChI

InChI=1S/C13H11N5OS/c1-7(19)8-2-4-9(5-3-8)20-13-17-10-11(14)15-6-16-12(10)18-13/h2-6H,1H3,(H3,14,15,16,17,18)