ethyl 3-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylpropanoate

Systemtic Name: ethyl 3-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylpropanoate Openeye Name: ethyl 3-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)sulfanylpropanoate CAS Name: 3-[(1,3,7-trimethyl-2,6-dioxo-8-purinyl)thio]propanoic acid ethyl ester IUPAC Name: ethyl 3-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylpropanoate Traditional Name: 3-[(2,6-diketo-1,3,7-trimethyl-purin-8-yl)thio]propionic acid ethyl ester Formula: C13H18N4O4S MolecularWeight: 326.37142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCSC1=NC2=C(N1C)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCOC(=O)CCSC1=NC2=C(N1C)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C13H18N4O4S/c1-5-21-8(18)6-7-22-12-14-10-9(15(12)2)11(19)17(4)13(20)16(10)3/h5-7H2,1-4H3