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

Systemtic Name: 2-[7-(2-ethoxyethyl)-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-N-phenyl-ethanamide Openeye Name: 2-[7-(2-ethoxyethyl)-3-methyl-2,6-dioxo-purin-8-yl]sulfanyl-N-phenyl-acetamide CAS Name: 2-[[7-(2-ethoxyethyl)-3-methyl-2,6-dioxo-8-purinyl]thio]-N-phenylacetamide IUPAC Name: 2-[7-(2-ethoxyethyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanyl-N-phenylacetamide Traditional Name: 2-[[7-(2-ethoxyethyl)-2,6-diketo-3-methyl-purin-8-yl]thio]-N-phenyl-acetamide Formula: C18H21N5O4S MolecularWeight: 403.45544

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(N=C1SCC(=O)NC3=CC=CC=C3)N(C(=O)NC2=O)C

Isomeric SMILES

CCOCCN1C2=C(N=C1SCC(=O)NC3=CC=CC=C3)N(C(=O)NC2=O)C

InChI

InChI=1S/C18H21N5O4S/c1-3-27-10-9-23-14-15(22(2)17(26)21-16(14)25)20-18(23)28-11-13(24)19-12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3,(H,19,24)(H,21,25,26)