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

Systemtic Name: (2R)-2-[(7-methoxyquinazolin-4-yl)azaniumyl]-4-methylsulfanyl-butanoate Openeye Name: (2R)-2-[(7-methoxyquinazolin-4-yl)ammonio]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[(7-methoxy-4-quinazolinyl)ammonio]-4-(methylthio)butanoate IUPAC Name: (2R)-2-[(7-methoxyquinazolin-4-yl)azaniumyl]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[(7-methoxyquinazolin-4-yl)ammonio]-4-(methylthio)butyrate Formula: C14H17N3O3S MolecularWeight: 307.36808

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=NC=N2)[NH2+]C(CCSC)C(=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)C(=NC=N2)[NH2+][C@H](CCSC)C(=O)[O-]

InChI

InChI=1S/C14H17N3O3S/c1-20-9-3-4-10-12(7-9)15-8-16-13(10)17-11(14(18)19)5-6-21-2/h3-4,7-8,11H,5-6H2,1-2H3,(H,18,19)(H,15,16,17)/t11-/m1/s1