(2S)-2-[[6,8-bis(chloranyl)quinazolin-4-yl]azaniumyl]propanoate

Systemtic Name: (2S)-2-[[6,8-bis(chloranyl)quinazolin-4-yl]azaniumyl]propanoate Openeye Name: (2S)-2-[(6,8-dichloroquinazolin-4-yl)ammonio]propanoate CAS Name: (2S)-2-[(6,8-dichloro-4-quinazolinyl)ammonio]propanoate IUPAC Name: (2S)-2-[(6,8-dichloroquinazolin-4-yl)azaniumyl]propanoate Traditional Name: (2S)-2-[(6,8-dichloroquinazolin-4-yl)ammonio]propionate Formula: C11H9Cl2N3O2 MolecularWeight: 286.11406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])[NH2+]C1=NC=NC2=C(C=C(C=C21)Cl)Cl

Isomeric SMILES

C[C@@H](C(=O)[O-])[NH2+]C1=NC=NC2=C(C=C(C=C21)Cl)Cl

InChI

InChI=1S/C11H9Cl2N3O2/c1-5(11(17)18)16-10-7-2-6(12)3-8(13)9(7)14-4-15-10/h2-5H,1H3,(H,17,18)(H,14,15,16)/t5-/m0/s1