3-(6-azanyl-4-oxidanylidene-1-phenyl-pyrimidin-2-yl)sulfanylpropanoic acid

Systemtic Name: 3-(6-azanyl-4-oxidanylidene-1-phenyl-pyrimidin-2-yl)sulfanylpropanoic acid Openeye Name: 3-(6-amino-4-oxo-1-phenyl-pyrimidin-2-yl)sulfanylpropanoic acid CAS Name: 3-[(6-amino-4-oxo-1-phenyl-2-pyrimidinyl)thio]propanoic acid IUPAC Name: 3-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanylpropanoic acid Traditional Name: 3-[(6-amino-4-keto-1-phenyl-pyrimidin-2-yl)thio]propionic acid Formula: C13H13N3O3S MolecularWeight: 291.32562

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=CC(=O)N=C2SCCC(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=CC(=O)N=C2SCCC(=O)O)N

InChI

InChI=1S/C13H13N3O3S/c14-10-8-11(17)15-13(20-7-6-12(18)19)16(10)9-4-2-1-3-5-9/h1-5,8H,6-7,14H2,(H,18,19)