(2S)-2-[(2-chloranyl-6,7-dimethoxy-quinazolin-4-yl)amino]butanoate

Systemtic Name: (2S)-2-[(2-chloranyl-6,7-dimethoxy-quinazolin-4-yl)amino]butanoate Openeye Name: (2S)-2-[(2-chloro-6,7-dimethoxy-quinazolin-4-yl)amino]butanoate CAS Name: (2S)-2-[(2-chloro-6,7-dimethoxy-4-quinazolinyl)amino]butanoate IUPAC Name: (2S)-2-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]butanoate Traditional Name: (2S)-2-[(2-chloro-6,7-dimethoxy-quinazolin-4-yl)amino]butyrate Formula: C14H15ClN3O4- MolecularWeight: 324.7396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16ClN3O4/c1-4-8(13(19)20)16-12-7-5-10(21-2)11(22-3)6-9(7)17-14(15)18-12/h5-6,8H,4H2,1-3H3,(H,19,20)(H,16,17,18)/p-1/t8-/m0/s1