2-[[6-azanyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[6-azanyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]sulfanyl]ethanoic acid Openeye Name: 2-[(6-amino-2-benzylsulfanyl-4-oxo-1H-pyrimidin-5-yl)sulfanyl]acetic acid CAS Name: 2-[[6-amino-4-oxo-2-(phenylmethylthio)-1H-pyrimidin-5-yl]thio]acetic acid IUPAC Name: 2-[(6-amino-2-benzylsulfanyl-4-oxo-1H-pyrimidin-5-yl)sulfanyl]acetic acid Traditional Name: 2-[[6-amino-2-(benzylthio)-4-keto-1H-pyrimidin-5-yl]thio]acetic acid Formula: C13H13N3O3S2 MolecularWeight: 323.39062

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=O)C(=C(N2)N)SCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=O)C(=C(N2)N)SCC(=O)O

InChI

InChI=1S/C13H13N3O3S2/c14-11-10(20-7-9(17)18)12(19)16-13(15-11)21-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,17,18)(H3,14,15,16,19)