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

Systemtic Name: N-(3,5-dimethoxyphenyl)-2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]sulfanyl-ethanamide Openeye Name: N-(3,5-dimethoxyphenyl)-2-(1,3-dimethyl-2,6-dioxo-7-propyl-purin-8-yl)sulfanyl-acetamide CAS Name: N-(3,5-dimethoxyphenyl)-2-[(1,3-dimethyl-2,6-dioxo-7-propyl-8-purinyl)thio]acetamide IUPAC Name: N-(3,5-dimethoxyphenyl)-2-(1,3-dimethyl-2,6-dioxo-7-propylpurin-8-yl)sulfanylacetamide Traditional Name: 2-[(2,6-diketo-1,3-dimethyl-7-propyl-purin-8-yl)thio]-N-(3,5-dimethoxyphenyl)acetamide Formula: C20H25N5O5S MolecularWeight: 447.508

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1SCC(=O)NC3=CC(=CC(=C3)OC)OC)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCN1C2=C(N=C1SCC(=O)NC3=CC(=CC(=C3)OC)OC)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C20H25N5O5S/c1-6-7-25-16-17(23(2)20(28)24(3)18(16)27)22-19(25)31-11-15(26)21-12-8-13(29-4)10-14(9-12)30-5/h8-10H,6-7,11H2,1-5H3,(H,21,26)