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

Systemtic Name: 2-[7-butyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-(7-butyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)sulfanyl-acetamide CAS Name: 2-[(7-butyl-1,3-dimethyl-2,6-dioxo-8-purinyl)thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-(7-butyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide Traditional Name: N-benzyl-2-[(7-butyl-2,6-diketo-1,3-dimethyl-purin-8-yl)thio]acetamide Formula: C20H25N5O3S MolecularWeight: 415.5092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1SCC(=O)NCC3=CC=CC=C3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCN1C2=C(N=C1SCC(=O)NCC3=CC=CC=C3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C20H25N5O3S/c1-4-5-11-25-16-17(23(2)20(28)24(3)18(16)27)22-19(25)29-13-15(26)21-12-14-9-7-6-8-10-14/h6-10H,4-5,11-13H2,1-3H3,(H,21,26)