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

Systemtic Name: 2-[7-(2-methoxyethyl)-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-N-phenyl-ethanamide Openeye Name: 2-[7-(2-methoxyethyl)-3-methyl-2,6-dioxo-purin-8-yl]sulfanyl-N-phenyl-acetamide CAS Name: 2-[[7-(2-methoxyethyl)-3-methyl-2,6-dioxo-8-purinyl]thio]-N-phenylacetamide IUPAC Name: 2-[7-(2-methoxyethyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanyl-N-phenylacetamide Traditional Name: 2-[[2,6-diketo-7-(2-methoxyethyl)-3-methyl-purin-8-yl]thio]-N-phenyl-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)NC3=CC=CC=C3)CCOC

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(=O)NC3=CC=CC=C3)CCOC

InChI

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