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

Systemtic Name: methyl 2-[3-methyl-2,6-bis(oxidanylidene)-7-prop-2-enyl-purin-8-yl]sulfanylpropanoate Openeye Name: methyl 2-(7-allyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanylpropanoate CAS Name: 2-[(3-methyl-2,6-dioxo-7-prop-2-enyl-8-purinyl)thio]propanoic acid methyl ester IUPAC Name: methyl 2-(3-methyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)sulfanylpropanoate Traditional Name: 2-[(7-allyl-2,6-diketo-3-methyl-purin-8-yl)thio]propionic acid methyl ester Formula: C13H16N4O4S MolecularWeight: 324.35554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)SC1=NC2=C(N1CC=C)C(=O)NC(=O)N2C

Isomeric SMILES

CC(C(=O)OC)SC1=NC2=C(N1CC=C)C(=O)NC(=O)N2C

InChI

InChI=1S/C13H16N4O4S/c1-5-6-17-8-9(16(3)12(20)15-10(8)18)14-13(17)22-7(2)11(19)21-4/h5,7H,1,6H2,2-4H3,(H,15,18,20)