(2S)-2-[(7-methoxyquinazolin-4-yl)azaniumyl]butanoate

Systemtic Name: (2S)-2-[(7-methoxyquinazolin-4-yl)azaniumyl]butanoate Openeye Name: (2S)-2-[(7-methoxyquinazolin-4-yl)ammonio]butanoate CAS Name: (2S)-2-[(7-methoxy-4-quinazolinyl)ammonio]butanoate IUPAC Name: (2S)-2-[(7-methoxyquinazolin-4-yl)azaniumyl]butanoate Traditional Name: (2S)-2-[(7-methoxyquinazolin-4-yl)ammonio]butyrate Formula: C13H15N3O3 MolecularWeight: 261.2765

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])[NH2+]C1=NC=NC2=C1C=CC(=C2)OC

Isomeric SMILES

CC[C@@H](C(=O)[O-])[NH2+]C1=NC=NC2=C1C=CC(=C2)OC

InChI

InChI=1S/C13H15N3O3/c1-3-10(13(17)18)16-12-9-5-4-8(19-2)6-11(9)14-7-15-12/h4-7,10H,3H2,1-2H3,(H,17,18)(H,14,15,16)/t10-/m0/s1