(2R)-2-azaniumyl-3-(6,7-dimethoxyquinazolin-4-yl)sulfanyl-propanoate

Systemtic Name: (2R)-2-azaniumyl-3-(6,7-dimethoxyquinazolin-4-yl)sulfanyl-propanoate Openeye Name: (2R)-2-azaniumyl-3-(6,7-dimethoxyquinazolin-4-yl)sulfanyl-propanoate CAS Name: (2R)-2-ammonio-3-[(6,7-dimethoxy-4-quinazolinyl)thio]propanoate IUPAC Name: (2R)-2-azaniumyl-3-(6,7-dimethoxyquinazolin-4-yl)sulfanylpropanoate Traditional Name: (2R)-2-ammonio-3-[(6,7-dimethoxyquinazolin-4-yl)thio]propionate Formula: C13H15N3O4S MolecularWeight: 309.3409

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)SCC(C(=O)[O-])[NH3+])OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)SC[C@@H](C(=O)[O-])[NH3+])OC

InChI

InChI=1S/C13H15N3O4S/c1-19-10-3-7-9(4-11(10)20-2)15-6-16-12(7)21-5-8(14)13(17)18/h3-4,6,8H,5,14H2,1-2H3,(H,17,18)/t8-/m0/s1