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

Systemtic Name: propan-2-yl 2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoate Openeye Name: isopropyl 2-(3,7-dimethyl-2,6-dioxo-purin-8-yl)sulfanylacetate CAS Name: 2-[(3,7-dimethyl-2,6-dioxo-8-purinyl)thio]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-(3,7-dimethyl-2,6-dioxopurin-8-yl)sulfanylacetate Traditional Name: 2-[(2,6-diketo-3,7-dimethyl-purin-8-yl)thio]acetic acid isopropyl ester Formula: C12H16N4O4S MolecularWeight: 312.34484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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