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

Systemtic Name: 3-[3-methyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]sulfanylpropanoate Openeye Name: 3-(3-methyl-2,6-dioxo-7-pentyl-purin-8-yl)sulfanylpropanoate CAS Name: 3-[(3-methyl-2,6-dioxo-7-pentyl-8-purinyl)thio]propanoate IUPAC Name: 3-(3-methyl-2,6-dioxo-7-pentylpurin-8-yl)sulfanylpropanoate Traditional Name: 3-[(7-amyl-2,6-diketo-3-methyl-purin-8-yl)thio]propionate Formula: C14H19N4O4S- MolecularWeight: 339.39006

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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)/p-1