2-azanyl-3-[3-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[3-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]phenyl]propanoic acid Openeye Name: 2-amino-3-[3-[(6-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]phenyl]propanoic acid CAS Name: 2-amino-3-[3-[[(6-oxo-1H-pyrimidin-2-yl)thio]methyl]phenyl]propanoic acid IUPAC Name: 2-amino-3-[3-[(6-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]phenyl]propanoic acid Traditional Name: 2-amino-3-[3-[[(6-keto-1H-pyrimidin-2-yl)thio]methyl]phenyl]propionic acid Formula: C14H15N3O3S MolecularWeight: 305.3522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O3S/c15-11(13(19)20)7-9-2-1-3-10(6-9)8-21-14-16-5-4-12(18)17-14/h1-6,11H,7-8,15H2,(H,19,20)(H,16,17,18)