3-[(2-methyl-6-oxidanylidene-3,5-dihydropurin-8-yl)sulfanyl]propanoic acid

Systemtic Name: 3-[(2-methyl-6-oxidanylidene-3,5-dihydropurin-8-yl)sulfanyl]propanoic acid Openeye Name: 3-[(2-methyl-6-oxo-3,5-dihydropurin-8-yl)sulfanyl]propanoic acid CAS Name: 3-[(2-methyl-6-oxo-3,5-dihydropurin-8-yl)thio]propanoic acid IUPAC Name: 3-[(2-methyl-6-oxo-3,5-dihydropurin-8-yl)sulfanyl]propanoic acid Traditional Name: 3-[(6-keto-2-methyl-3,5-dihydropurin-8-yl)thio]propionic acid Formula: C9H10N4O3S MolecularWeight: 254.2657

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2C(=NC(=N2)SCCC(=O)O)N1

Isomeric SMILES

CC1=NC(=O)C2C(=NC(=N2)SCCC(=O)O)N1

InChI

InChI=1S/C9H10N4O3S/c1-4-10-7-6(8(16)11-4)12-9(13-7)17-3-2-5(14)15/h6H,2-3H2,1H3,(H,14,15)(H,10,11,12,13,16)