N-(4-acetamidophenyl)-2-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-acetamidophenyl)-2-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-ethanamide Openeye Name: N-(4-acetamidophenyl)-2-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)sulfanyl-acetamide CAS Name: N-(4-acetamidophenyl)-2-[(1,3,7-trimethyl-2,6-dioxo-8-purinyl)thio]acetamide IUPAC Name: N-(4-acetamidophenyl)-2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide Traditional Name: N-(4-acetamidophenyl)-2-[(2,6-diketo-1,3,7-trimethyl-purin-8-yl)thio]acetamide Formula: C18H20N6O4S MolecularWeight: 416.4542

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C18H20N6O4S/c1-10(25)19-11-5-7-12(8-6-11)20-13(26)9-29-17-21-15-14(22(17)2)16(27)24(4)18(28)23(15)3/h5-8H,9H2,1-4H3,(H,19,25)(H,20,26)