2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]sulfanyl-N-[(4-methoxyphenyl)methyl]ethanamide

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]sulfanyl-N-[(4-methoxyphenyl)methyl]ethanamide Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-7-propyl-purin-8-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide CAS Name: 2-[(1,3-dimethyl-2,6-dioxo-7-propyl-8-purinyl)thio]-N-[(4-methoxyphenyl)methyl]acetamide IUPAC Name: 2-(1,3-dimethyl-2,6-dioxo-7-propylpurin-8-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide Traditional Name: 2-[(2,6-diketo-1,3-dimethyl-7-propyl-purin-8-yl)thio]-N-p-anisyl-acetamide Formula: C20H25N5O4S MolecularWeight: 431.5086

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1SCC(=O)NCC3=CC=C(C=C3)OC)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCN1C2=C(N=C1SCC(=O)NCC3=CC=C(C=C3)OC)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C20H25N5O4S/c1-5-10-25-16-17(23(2)20(28)24(3)18(16)27)22-19(25)30-12-15(26)21-11-13-6-8-14(29-4)9-7-13/h6-9H,5,10-12H2,1-4H3,(H,21,26)