2-[7-[2-(4-methoxyphenyl)ethyl]-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanamide

Systemtic Name: 2-[7-[2-(4-methoxyphenyl)ethyl]-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanamide Openeye Name: 2-[7-[2-(4-methoxyphenyl)ethyl]-3-methyl-2,6-dioxo-purin-8-yl]sulfanylacetamide CAS Name: 2-[[7-[2-(4-methoxyphenyl)ethyl]-3-methyl-2,6-dioxo-8-purinyl]thio]acetamide IUPAC Name: 2-[7-[2-(4-methoxyphenyl)ethyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetamide Traditional Name: 2-[[2,6-diketo-7-[2-(4-methoxyphenyl)ethyl]-3-methyl-purin-8-yl]thio]acetamide Formula: C17H19N5O4S MolecularWeight: 389.42886

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(=O)N)CCC3=CC=C(C=C3)OC

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(=O)N)CCC3=CC=C(C=C3)OC

InChI

InChI=1S/C17H19N5O4S/c1-21-14-13(15(24)20-16(21)25)22(17(19-14)27-9-12(18)23)8-7-10-3-5-11(26-2)6-4-10/h3-6H,7-9H2,1-2H3,(H2,18,23)(H,20,24,25)