ethyl 2-[3-methyl-7-(3-methylbutyl)-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[3-methyl-7-(3-methylbutyl)-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoate Openeye Name: ethyl 2-(7-isopentyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanylacetate CAS Name: 2-[[3-methyl-7-(3-methylbutyl)-2,6-dioxo-8-purinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-methyl-7-(3-methylbutyl)-2,6-dioxopurin-8-yl]sulfanylacetate Traditional Name: 2-[(7-isoamyl-2,6-diketo-3-methyl-purin-8-yl)thio]acetic acid ethyl ester Formula: C15H22N4O4S MolecularWeight: 354.42458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=C(N1CCC(C)C)C(=O)NC(=O)N2C

Isomeric SMILES

CCOC(=O)CSC1=NC2=C(N1CCC(C)C)C(=O)NC(=O)N2C

InChI

InChI=1S/C15H22N4O4S/c1-5-23-10(20)8-24-15-16-12-11(19(15)7-6-9(2)3)13(21)17-14(22)18(12)4/h9H,5-8H2,1-4H3,(H,17,21,22)