N-(2-ethyl-6-methyl-phenyl)-2-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-2-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-ethanamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-2-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)sulfanyl-acetamide CAS Name: N-(2-ethyl-6-methylphenyl)-2-[(1,3,7-trimethyl-2,6-dioxo-8-purinyl)thio]acetamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide Traditional Name: 2-[(2,6-diketo-1,3,7-trimethyl-purin-8-yl)thio]-N-(2-ethyl-6-methyl-phenyl)acetamide Formula: C19H23N5O3S MolecularWeight: 401.48262

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CSC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CSC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C)C

InChI

InChI=1S/C19H23N5O3S/c1-6-12-9-7-8-11(2)14(12)20-13(25)10-28-18-21-16-15(22(18)3)17(26)24(5)19(27)23(16)4/h7-9H,6,10H2,1-5H3,(H,20,25)