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

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]sulfanyl-N-(2-methoxy-5-methyl-phenyl)ethanamide Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-7-propyl-purin-8-yl)sulfanyl-N-(2-methoxy-5-methyl-phenyl)acetamide CAS Name: 2-[(1,3-dimethyl-2,6-dioxo-7-propyl-8-purinyl)thio]-N-(2-methoxy-5-methylphenyl)acetamide IUPAC Name: 2-(1,3-dimethyl-2,6-dioxo-7-propylpurin-8-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide Traditional Name: 2-[(2,6-diketo-1,3-dimethyl-7-propyl-purin-8-yl)thio]-N-(2-methoxy-5-methyl-phenyl)acetamide Formula: C20H25N5O4S MolecularWeight: 431.5086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5O4S/c1-6-9-25-16-17(23(3)20(28)24(4)18(16)27)22-19(25)30-11-15(26)21-13-10-12(2)7-8-14(13)29-5/h7-8,10H,6,9,11H2,1-5H3,(H,21,26)