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

Systemtic Name: ethyl 2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylpropanoate Openeye Name: ethyl 2-(3,7-dimethyl-2,6-dioxo-purin-8-yl)sulfanylpropanoate CAS Name: 2-[(3,7-dimethyl-2,6-dioxo-8-purinyl)thio]propanoic acid ethyl ester IUPAC Name: ethyl 2-(3,7-dimethyl-2,6-dioxopurin-8-yl)sulfanylpropanoate Traditional Name: 2-[(2,6-diketo-3,7-dimethyl-purin-8-yl)thio]propionic acid ethyl ester Formula: C12H16N4O4S MolecularWeight: 312.34484

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)SC1=NC2=C(N1C)C(=O)NC(=O)N2C

Isomeric SMILES

CCOC(=O)C(C)SC1=NC2=C(N1C)C(=O)NC(=O)N2C

InChI

InChI=1S/C12H16N4O4S/c1-5-20-10(18)6(2)21-12-13-8-7(15(12)3)9(17)14-11(19)16(8)4/h6H,5H2,1-4H3,(H,14,17,19)