(2S,3S)-2-[(2-chloranylquinazolin-4-yl)amino]-3-oxidanyl-butanoate

Systemtic Name: (2S,3S)-2-[(2-chloranylquinazolin-4-yl)amino]-3-oxidanyl-butanoate Openeye Name: (2S,3S)-2-[(2-chloroquinazolin-4-yl)amino]-3-hydroxy-butanoate CAS Name: (2S,3S)-2-[(2-chloro-4-quinazolinyl)amino]-3-hydroxybutanoate IUPAC Name: (2S,3S)-2-[(2-chloroquinazolin-4-yl)amino]-3-hydroxybutanoate Traditional Name: (2S,3S)-2-[(2-chloroquinazolin-4-yl)amino]-3-hydroxy-butyrate Formula: C12H11ClN3O3- MolecularWeight: 280.68704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)[O-])NC1=NC(=NC2=CC=CC=C21)Cl)O

Isomeric SMILES

C[C@@H]([C@@H](C(=O)[O-])NC1=NC(=NC2=CC=CC=C21)Cl)O

InChI

InChI=1S/C12H12ClN3O3/c1-6(17)9(11(18)19)15-10-7-4-2-3-5-8(7)14-12(13)16-10/h2-6,9,17H,1H3,(H,18,19)(H,14,15,16)/p-1/t6-,9-/m0/s1