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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[7-butyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-(7-butyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(7-butyl-1,3-dimethyl-2,6-dioxo-8-purinyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(7-butyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(7-butyl-2,6-diketo-1,3-dimethyl-purin-8-yl)thio]acetamide Formula: C20H23N5O5S MolecularWeight: 445.49212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1SCC(=O)NC3=CC4=C(C=C3)OCO4)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCN1C2=C(N=C1SCC(=O)NC3=CC4=C(C=C3)OCO4)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C20H23N5O5S/c1-4-5-8-25-16-17(23(2)20(28)24(3)18(16)27)22-19(25)31-10-15(26)21-12-6-7-13-14(9-12)30-11-29-13/h6-7,9H,4-5,8,10-11H2,1-3H3,(H,21,26)