3-(2-azanyl-6-phenyl-4-sulfanylidene-1H-pyrimidin-5-yl)propanoic acid

Systemtic Name: 3-(2-azanyl-6-phenyl-4-sulfanylidene-1H-pyrimidin-5-yl)propanoic acid Openeye Name: 3-(2-amino-6-phenyl-4-thioxo-1H-pyrimidin-5-yl)propanoic acid CAS Name: 3-(2-amino-6-phenyl-4-sulfanylidene-1H-pyrimidin-5-yl)propanoic acid IUPAC Name: 3-(2-amino-6-phenyl-4-sulfanylidene-1H-pyrimidin-5-yl)propanoic acid Traditional Name: 3-(2-amino-6-phenyl-4-thioxo-1H-pyrimidin-5-yl)propionic acid Formula: C13H13N3O2S MolecularWeight: 275.32622

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=S)N=C(N2)N)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=S)N=C(N2)N)CCC(=O)O

InChI

InChI=1S/C13H13N3O2S/c14-13-15-11(8-4-2-1-3-5-8)9(12(19)16-13)6-7-10(17)18/h1-5H,6-7H2,(H,17,18)(H3,14,15,16,19)