2-[3-methyl-9-(3-methylbutyl)-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanamide

Systemtic Name: 2-[3-methyl-9-(3-methylbutyl)-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanamide Openeye Name: 2-(9-isopentyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanylacetamide CAS Name: 2-[[3-methyl-9-(3-methylbutyl)-2,6-dioxo-8-purinyl]thio]acetamide IUPAC Name: 2-[3-methyl-9-(3-methylbutyl)-2,6-dioxopurin-8-yl]sulfanylacetamide Traditional Name: 2-[(9-isoamyl-2,6-diketo-3-methyl-purin-8-yl)thio]acetamide Formula: C13H19N5O3S MolecularWeight: 325.38666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(C(=O)NC(=O)N2C)N=C1SCC(=O)N

Isomeric SMILES

CC(C)CCN1C2=C(C(=O)NC(=O)N2C)N=C1SCC(=O)N

InChI

InChI=1S/C13H19N5O3S/c1-7(2)4-5-18-11-9(10(20)16-12(21)17(11)3)15-13(18)22-6-8(14)19/h7H,4-6H2,1-3H3,(H2,14,19)(H,16,20,21)