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

Systemtic Name: propan-2-yl 2-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoate Openeye Name: isopropyl 2-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)sulfanylacetate CAS Name: 2-[(1,3,7-trimethyl-2,6-dioxo-8-purinyl)thio]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetate Traditional Name: 2-[(2,6-diketo-1,3,7-trimethyl-purin-8-yl)thio]acetic acid isopropyl ester Formula: C13H18N4O4S MolecularWeight: 326.37142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CSC1=NC2=C(N1C)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(C)OC(=O)CSC1=NC2=C(N1C)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C13H18N4O4S/c1-7(2)21-8(18)6-22-12-14-10-9(15(12)3)11(19)17(5)13(20)16(10)4/h7H,6H2,1-5H3