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

Systemtic Name: 3-[7-butyl-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylpropanoic acid Openeye Name: 3-(7-butyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanylpropanoic acid CAS Name: 3-[(7-butyl-3-methyl-2,6-dioxo-8-purinyl)thio]propanoic acid IUPAC Name: 3-(7-butyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylpropanoic acid Traditional Name: 3-[(7-butyl-2,6-diketo-3-methyl-purin-8-yl)thio]propionic acid Formula: C13H18N4O4S MolecularWeight: 326.37142

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1SCCC(=O)O)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCN1C2=C(N=C1SCCC(=O)O)N(C(=O)NC2=O)C

InChI

InChI=1S/C13H18N4O4S/c1-3-4-6-17-9-10(16(2)12(21)15-11(9)20)14-13(17)22-7-5-8(18)19/h3-7H2,1-2H3,(H,18,19)(H,15,20,21)