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

Systemtic Name: 3-[7-ethyl-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylpropanoate Openeye Name: 3-(7-ethyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanylpropanoate CAS Name: 3-[(7-ethyl-3-methyl-2,6-dioxo-8-purinyl)thio]propanoate IUPAC Name: 3-(7-ethyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylpropanoate Traditional Name: 3-[(7-ethyl-2,6-diketo-3-methyl-purin-8-yl)thio]propionate Formula: C11H13N4O4S- MolecularWeight: 297.31032

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1SCCC(=O)[O-])N(C(=O)NC2=O)C

Isomeric SMILES

CCN1C2=C(N=C1SCCC(=O)[O-])N(C(=O)NC2=O)C

InChI

InChI=1S/C11H14N4O4S/c1-3-15-7-8(14(2)10(19)13-9(7)18)12-11(15)20-5-4-6(16)17/h3-5H2,1-2H3,(H,16,17)(H,13,18,19)/p-1