N-(4-bromophenyl)-2-[1,3,9-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-bromophenyl)-2-[1,3,9-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-ethanamide Openeye Name: N-(4-bromophenyl)-2-(1,3,9-trimethyl-2,6-dioxo-purin-8-yl)sulfanyl-acetamide CAS Name: N-(4-bromophenyl)-2-[(1,3,9-trimethyl-2,6-dioxo-8-purinyl)thio]acetamide IUPAC Name: N-(4-bromophenyl)-2-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide Traditional Name: N-(4-bromophenyl)-2-[(2,6-diketo-1,3,9-trimethyl-purin-8-yl)thio]acetamide Formula: C16H16BrN5O3S MolecularWeight: 438.29894

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C(=O)N2C)C)N=C1SCC(=O)NC3=CC=C(C=C3)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C(=O)N2C)C)N=C1SCC(=O)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C16H16BrN5O3S/c1-20-13-12(14(24)22(3)16(25)21(13)2)19-15(20)26-8-11(23)18-10-6-4-9(17)5-7-10/h4-7H,8H2,1-3H3,(H,18,23)