2-azanyl-3-[6-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanylmethyl]pyridin-2-yl]propanoic acid

Systemtic Name: 2-azanyl-3-[6-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanylmethyl]pyridin-2-yl]propanoic acid Openeye Name: 2-amino-3-[6-[(4-oxo-1H-quinazolin-2-yl)sulfanylmethyl]-2-pyridyl]propanoic acid CAS Name: 2-amino-3-[6-[[(4-oxo-1H-quinazolin-2-yl)thio]methyl]-2-pyridinyl]propanoic acid IUPAC Name: 2-amino-3-[6-[(4-oxo-1H-quinazolin-2-yl)sulfanylmethyl]pyridin-2-yl]propanoic acid Traditional Name: 2-amino-3-[6-[[(4-keto-1H-quinazolin-2-yl)thio]methyl]-2-pyridyl]propionic acid Formula: C17H16N4O3S MolecularWeight: 356.39894

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N=C(N2)SCC3=CC=CC(=N3)CC(C(=O)O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N=C(N2)SCC3=CC=CC(=N3)CC(C(=O)O)N

InChI

InChI=1S/C17H16N4O3S/c18-13(16(23)24)8-10-4-3-5-11(19-10)9-25-17-20-14-7-2-1-6-12(14)15(22)21-17/h1-7,13H,8-9,18H2,(H,23,24)(H,20,21,22)