(2R)-2-azaniumyl-3-(6-methylquinazolin-4-yl)sulfanyl-propanoate

Systemtic Name: (2R)-2-azaniumyl-3-(6-methylquinazolin-4-yl)sulfanyl-propanoate Openeye Name: (2R)-2-azaniumyl-3-(6-methylquinazolin-4-yl)sulfanyl-propanoate CAS Name: (2R)-2-ammonio-3-[(6-methyl-4-quinazolinyl)thio]propanoate IUPAC Name: (2R)-2-azaniumyl-3-(6-methylquinazolin-4-yl)sulfanylpropanoate Traditional Name: (2R)-2-ammonio-3-[(6-methylquinazolin-4-yl)thio]propionate Formula: C12H13N3O2S MolecularWeight: 263.31552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=CN=C2SCC(C(=O)[O-])[NH3+]

Isomeric SMILES

CC1=CC2=C(C=C1)N=CN=C2SC[C@@H](C(=O)[O-])[NH3+]

InChI

InChI=1S/C12H13N3O2S/c1-7-2-3-10-8(4-7)11(15-6-14-10)18-5-9(13)12(16)17/h2-4,6,9H,5,13H2,1H3,(H,16,17)/t9-/m0/s1