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

Systemtic Name: (2R)-2-[(6,7-dimethoxyquinazolin-4-yl)azaniumyl]-4-methylsulfanyl-butanoate Openeye Name: (2R)-2-[(6,7-dimethoxyquinazolin-4-yl)ammonio]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[(6,7-dimethoxy-4-quinazolinyl)ammonio]-4-(methylthio)butanoate IUPAC Name: (2R)-2-[(6,7-dimethoxyquinazolin-4-yl)azaniumyl]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[(6,7-dimethoxyquinazolin-4-yl)ammonio]-4-(methylthio)butyrate Formula: C15H19N3O4S MolecularWeight: 337.39406

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)[NH2+]C(CCSC)C(=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)[NH2+][C@H](CCSC)C(=O)[O-])OC

InChI

InChI=1S/C15H19N3O4S/c1-21-12-6-9-11(7-13(12)22-2)16-8-17-14(9)18-10(15(19)20)4-5-23-3/h6-8,10H,4-5H2,1-3H3,(H,19,20)(H,16,17,18)/t10-/m1/s1