methyl 2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]sulfanylethanoate

Systemtic Name: methyl 2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]sulfanylethanoate Openeye Name: methyl 2-(1,3-dimethyl-2,6-dioxo-7-pentyl-purin-8-yl)sulfanylacetate CAS Name: 2-[(1,3-dimethyl-2,6-dioxo-7-pentyl-8-purinyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(1,3-dimethyl-2,6-dioxo-7-pentylpurin-8-yl)sulfanylacetate Traditional Name: 2-[(7-amyl-2,6-diketo-1,3-dimethyl-purin-8-yl)thio]acetic acid methyl ester Formula: C15H22N4O4S MolecularWeight: 354.42458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(N=C1SCC(=O)OC)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCCN1C2=C(N=C1SCC(=O)OC)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C15H22N4O4S/c1-5-6-7-8-19-11-12(16-14(19)24-9-10(20)23-4)17(2)15(22)18(3)13(11)21/h5-9H2,1-4H3