2-[3-methyl-7-(3-methylbutyl)-2,6-bis(oxidanylidene)-8-sulfanylidene-9H-purin-1-yl]ethanamide

Systemtic Name: 2-[3-methyl-7-(3-methylbutyl)-2,6-bis(oxidanylidene)-8-sulfanylidene-9H-purin-1-yl]ethanamide Openeye Name: 2-(7-isopentyl-3-methyl-2,6-dioxo-8-thioxo-9H-purin-1-yl)acetamide CAS Name: 2-[3-methyl-7-(3-methylbutyl)-2,6-dioxo-8-sulfanylidene-9H-purin-1-yl]acetamide IUPAC Name: 2-[3-methyl-7-(3-methylbutyl)-2,6-dioxo-8-sulfanylidene-9H-purin-1-yl]acetamide Traditional Name: 2-(7-isoamyl-2,6-diketo-3-methyl-8-thioxo-9H-purin-1-yl)acetamide Formula: C13H19N5O3S MolecularWeight: 325.38666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(NC1=S)N(C(=O)N(C2=O)CC(=O)N)C

Isomeric SMILES

CC(C)CCN1C2=C(NC1=S)N(C(=O)N(C2=O)CC(=O)N)C

InChI

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