3-[3-methyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]sulfanylpropanoic acid

Systemtic Name: 3-[3-methyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]sulfanylpropanoic acid Openeye Name: 3-(3-methyl-2,6-dioxo-7-pentyl-purin-8-yl)sulfanylpropanoic acid CAS Name: 3-[(3-methyl-2,6-dioxo-7-pentyl-8-purinyl)thio]propanoic acid IUPAC Name: 3-(3-methyl-2,6-dioxo-7-pentylpurin-8-yl)sulfanylpropanoic acid Traditional Name: 3-[(7-amyl-2,6-diketo-3-methyl-purin-8-yl)thio]propionic acid Formula: C14H20N4O4S MolecularWeight: 340.398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(N=C1SCCC(=O)O)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCN1C2=C(N=C1SCCC(=O)O)N(C(=O)NC2=O)C

InChI

InChI=1S/C14H20N4O4S/c1-3-4-5-7-18-10-11(17(2)13(22)16-12(10)21)15-14(18)23-8-6-9(19)20/h3-8H2,1-2H3,(H,19,20)(H,16,21,22)