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

Systemtic Name: methyl 2-[3-methyl-2,6-bis(oxidanylidene)-7-prop-2-enyl-purin-8-yl]sulfanylethanoate Openeye Name: methyl 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]acetic acid methyl ester IUPAC Name: methyl 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]acetic acid methyl ester Formula: C12H14N4O4S MolecularWeight: 310.32896

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(=O)OC)CC=C

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(=O)OC)CC=C

InChI

InChI=1S/C12H14N4O4S/c1-4-5-16-8-9(15(2)11(19)14-10(8)18)13-12(16)21-6-7(17)20-3/h4H,1,5-6H2,2-3H3,(H,14,18,19)