2-[3-methyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]sulfanylethanoic acid

Systemtic Name: 2-[3-methyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]sulfanylethanoic acid Openeye Name: 2-(3-methyl-2,6-dioxo-7-propyl-purin-8-yl)sulfanylacetic acid CAS Name: 2-[(3-methyl-2,6-dioxo-7-propyl-8-purinyl)thio]acetic acid IUPAC Name: 2-(3-methyl-2,6-dioxo-7-propylpurin-8-yl)sulfanylacetic acid Traditional Name: 2-[(2,6-diketo-3-methyl-7-propyl-purin-8-yl)thio]acetic acid Formula: C11H14N4O4S MolecularWeight: 298.31826

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1SCC(=O)O)N(C(=O)NC2=O)C

Isomeric SMILES

CCCN1C2=C(N=C1SCC(=O)O)N(C(=O)NC2=O)C

InChI

InChI=1S/C11H14N4O4S/c1-3-4-15-7-8(12-11(15)20-5-6(16)17)14(2)10(19)13-9(7)18/h3-5H2,1-2H3,(H,16,17)(H,13,18,19)