2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-propan-2-yl-purin-8-yl]sulfanylethanoic acid

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-propan-2-yl-purin-8-yl]sulfanylethanoic acid Openeye Name: 2-(7-isopropyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)sulfanylacetic acid CAS Name: 2-[(1,3-dimethyl-2,6-dioxo-7-propan-2-yl-8-purinyl)thio]acetic acid IUPAC Name: 2-(1,3-dimethyl-2,6-dioxo-7-propan-2-ylpurin-8-yl)sulfanylacetic acid Traditional Name: 2-[(7-isopropyl-2,6-diketo-1,3-dimethyl-purin-8-yl)thio]acetic acid Formula: C12H16N4O4S MolecularWeight: 312.34484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(N=C1SCC(=O)O)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(C)N1C2=C(N=C1SCC(=O)O)N(C(=O)N(C2=O)C)C

InChI

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