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

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]sulfanyl-N-(2,6-dimethylcyclohexyl)ethanamide Openeye Name: N-(2,6-dimethylcyclohexyl)-2-(1,3-dimethyl-2,6-dioxo-7-propyl-purin-8-yl)sulfanyl-acetamide CAS Name: N-(2,6-dimethylcyclohexyl)-2-[(1,3-dimethyl-2,6-dioxo-7-propyl-8-purinyl)thio]acetamide IUPAC Name: N-(2,6-dimethylcyclohexyl)-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-(2,6-dimethylcyclohexyl)acetamide Formula: C20H31N5O3S MolecularWeight: 421.55684

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1SCC(=O)NC3C(CCCC3C)C)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCN1C2=C(N=C1SCC(=O)NC3C(CCCC3C)C)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C20H31N5O3S/c1-6-10-25-16-17(23(4)20(28)24(5)18(16)27)22-19(25)29-11-14(26)21-15-12(2)8-7-9-13(15)3/h12-13,15H,6-11H2,1-5H3,(H,21,26)