N-(2,5-diethoxyphenyl)-2-[7-ethyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-ethanamide

Systemtic Name: N-(2,5-diethoxyphenyl)-2-[7-ethyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-ethanamide Openeye Name: N-(2,5-diethoxyphenyl)-2-(7-ethyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)sulfanyl-acetamide CAS Name: N-(2,5-diethoxyphenyl)-2-[(7-ethyl-1,3-dimethyl-2,6-dioxo-8-purinyl)thio]acetamide IUPAC Name: N-(2,5-diethoxyphenyl)-2-(7-ethyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide Traditional Name: N-(2,5-diethoxyphenyl)-2-[(7-ethyl-2,6-diketo-1,3-dimethyl-purin-8-yl)thio]acetamide Formula: C21H27N5O5S MolecularWeight: 461.53458

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1SCC(=O)NC3=C(C=CC(=C3)OCC)OCC)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCN1C2=C(N=C1SCC(=O)NC3=C(C=CC(=C3)OCC)OCC)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C21H27N5O5S/c1-6-26-17-18(24(4)21(29)25(5)19(17)28)23-20(26)32-12-16(27)22-14-11-13(30-7-2)9-10-15(14)31-8-3/h9-11H,6-8,12H2,1-5H3,(H,22,27)