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

Systemtic Name: 2-[3-methyl-2,6-bis(oxidanylidene)-7-propan-2-yl-purin-8-yl]sulfanylethanoate Openeye Name: 2-(7-isopropyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanylacetate CAS Name: 2-[(3-methyl-2,6-dioxo-7-propan-2-yl-8-purinyl)thio]acetate IUPAC Name: 2-(3-methyl-2,6-dioxo-7-propan-2-ylpurin-8-yl)sulfanylacetate Traditional Name: 2-[(7-isopropyl-2,6-diketo-3-methyl-purin-8-yl)thio]acetate Formula: C11H13N4O4S- MolecularWeight: 297.31032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(N=C1SCC(=O)[O-])N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)N1C2=C(N=C1SCC(=O)[O-])N(C(=O)NC2=O)C

InChI

InChI=1S/C11H14N4O4S/c1-5(2)15-7-8(12-11(15)20-4-6(16)17)14(3)10(19)13-9(7)18/h5H,4H2,1-3H3,(H,16,17)(H,13,18,19)/p-1