N-(2-bromophenyl)-2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-bromophenyl)-2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]sulfanyl-ethanamide Openeye Name: N-(2-bromophenyl)-2-(1,3-dimethyl-2,6-dioxo-7-propyl-purin-8-yl)sulfanyl-acetamide CAS Name: N-(2-bromophenyl)-2-[(1,3-dimethyl-2,6-dioxo-7-propyl-8-purinyl)thio]acetamide IUPAC Name: N-(2-bromophenyl)-2-(1,3-dimethyl-2,6-dioxo-7-propylpurin-8-yl)sulfanylacetamide Traditional Name: N-(2-bromophenyl)-2-[(2,6-diketo-1,3-dimethyl-7-propyl-purin-8-yl)thio]acetamide Formula: C18H20BrN5O3S MolecularWeight: 466.3521

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1SCC(=O)NC3=CC=CC=C3Br)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCN1C2=C(N=C1SCC(=O)NC3=CC=CC=C3Br)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C18H20BrN5O3S/c1-4-9-24-14-15(22(2)18(27)23(3)16(14)26)21-17(24)28-10-13(25)20-12-8-6-5-7-11(12)19/h5-8H,4,9-10H2,1-3H3,(H,20,25)