(2S)-2-[(2-chloranylquinazolin-4-yl)amino]-3-(1H-imidazol-5-yl)propanoate

Systemtic Name: (2S)-2-[(2-chloranylquinazolin-4-yl)amino]-3-(1H-imidazol-5-yl)propanoate Openeye Name: (2S)-2-[(2-chloroquinazolin-4-yl)amino]-3-(1H-imidazol-5-yl)propanoate CAS Name: (2S)-2-[(2-chloro-4-quinazolinyl)amino]-3-(1H-imidazol-5-yl)propanoate IUPAC Name: (2S)-2-[(2-chloroquinazolin-4-yl)amino]-3-(1H-imidazol-5-yl)propanoate Traditional Name: (2S)-2-[(2-chloroquinazolin-4-yl)amino]-3-(1H-imidazol-5-yl)propionate Formula: C14H11ClN5O2- MolecularWeight: 316.72244

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)Cl)NC(CC3=CN=CN3)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)Cl)N[C@@H](CC3=CN=CN3)C(=O)[O-]

InChI

InChI=1S/C14H12ClN5O2/c15-14-19-10-4-2-1-3-9(10)12(20-14)18-11(13(21)22)5-8-6-16-7-17-8/h1-4,6-7,11H,5H2,(H,16,17)(H,21,22)(H,18,19,20)/p-1/t11-/m0/s1