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

Systemtic Name: 2-[3-methyl-2,6-bis(oxidanylidene)-7-prop-2-enyl-purin-8-yl]sulfanylethanoate Openeye Name: 2-(7-allyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanylacetate CAS Name: 2-[(3-methyl-2,6-dioxo-7-prop-2-enyl-8-purinyl)thio]acetate IUPAC Name: 2-(3-methyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)sulfanylacetate Traditional Name: 2-[(7-allyl-2,6-diketo-3-methyl-purin-8-yl)thio]acetate Formula: C11H11N4O4S- MolecularWeight: 295.29444

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(=O)[O-])CC=C

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(=O)[O-])CC=C

InChI

InChI=1S/C11H12N4O4S/c1-3-4-15-7-8(12-11(15)20-5-6(16)17)14(2)10(19)13-9(7)18/h3H,1,4-5H2,2H3,(H,16,17)(H,13,18,19)/p-1