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

Systemtic Name: 3-[3-methyl-7-(3-methylbutyl)-2,6-bis(oxidanylidene)purin-8-yl]sulfanylpropanoic acid Openeye Name: 3-(7-isopentyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanylpropanoic acid CAS Name: 3-[[3-methyl-7-(3-methylbutyl)-2,6-dioxo-8-purinyl]thio]propanoic acid IUPAC Name: 3-[3-methyl-7-(3-methylbutyl)-2,6-dioxopurin-8-yl]sulfanylpropanoic acid Traditional Name: 3-[(7-isoamyl-2,6-diketo-3-methyl-purin-8-yl)thio]propionic acid Formula: C14H20N4O4S MolecularWeight: 340.398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(N=C1SCCC(=O)O)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)CCN1C2=C(N=C1SCCC(=O)O)N(C(=O)NC2=O)C

InChI

InChI=1S/C14H20N4O4S/c1-8(2)4-6-18-10-11(17(3)13(22)16-12(10)21)15-14(18)23-7-5-9(19)20/h8H,4-7H2,1-3H3,(H,19,20)(H,16,21,22)