(2S)-2-[(6,7-dimethoxyquinazolin-4-yl)azaniumyl]butanoate

Systemtic Name: (2S)-2-[(6,7-dimethoxyquinazolin-4-yl)azaniumyl]butanoate Openeye Name: (2S)-2-[(6,7-dimethoxyquinazolin-4-yl)ammonio]butanoate CAS Name: (2S)-2-[(6,7-dimethoxy-4-quinazolinyl)ammonio]butanoate IUPAC Name: (2S)-2-[(6,7-dimethoxyquinazolin-4-yl)azaniumyl]butanoate Traditional Name: (2S)-2-[(6,7-dimethoxyquinazolin-4-yl)ammonio]butyrate Formula: C14H17N3O4 MolecularWeight: 291.30248

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])[NH2+]C1=NC=NC2=CC(=C(C=C21)OC)OC

Isomeric SMILES

CC[C@@H](C(=O)[O-])[NH2+]C1=NC=NC2=CC(=C(C=C21)OC)OC

InChI

InChI=1S/C14H17N3O4/c1-4-9(14(18)19)17-13-8-5-11(20-2)12(21-3)6-10(8)15-7-16-13/h5-7,9H,4H2,1-3H3,(H,18,19)(H,15,16,17)/t9-/m0/s1