2-[[6-azanyl-5-[(4-methoxyphenyl)carbonylamino]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]propanoic acid

Systemtic Name: 2-[[6-azanyl-5-[(4-methoxyphenyl)carbonylamino]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]propanoic acid Openeye Name: 2-[[6-amino-5-[(4-methoxybenzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]propanoic acid CAS Name: 2-[[6-amino-5-[[(4-methoxyphenyl)-oxomethyl]amino]-4-oxo-1H-pyrimidin-2-yl]thio]propanoic acid IUPAC Name: 2-[[6-amino-5-[(4-methoxybenzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]propanoic acid Traditional Name: 2-[[6-amino-4-keto-5-(p-anisoylamino)-1H-pyrimidin-2-yl]thio]propionic acid Formula: C15H16N4O5S MolecularWeight: 364.37634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C(=O)O)SC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C15H16N4O5S/c1-7(14(22)23)25-15-18-11(16)10(13(21)19-15)17-12(20)8-3-5-9(24-2)6-4-8/h3-7H,1-2H3,(H,17,20)(H,22,23)(H3,16,18,19,21)