(2S)-2-(quinazolin-4-ylazaniumyl)pentanedioate

Systemtic Name: (2S)-2-(quinazolin-4-ylazaniumyl)pentanedioate Openeye Name: (2S)-2-(quinazolin-4-ylammonio)pentanedioate CAS Name: (2S)-2-(4-quinazolinylammonio)pentanedioate IUPAC Name: (2S)-2-(quinazolin-4-ylazaniumyl)pentanedioate Traditional Name: (2S)-2-(quinazolin-4-ylammonio)glutarate Formula: C13H12N3O4- MolecularWeight: 274.25208

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC=N2)[NH2+]C(CCC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC=N2)[NH2+][C@@H](CCC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C13H13N3O4/c17-11(18)6-5-10(13(19)20)16-12-8-3-1-2-4-9(8)14-7-15-12/h1-4,7,10H,5-6H2,(H,17,18)(H,19,20)(H,14,15,16)/p-1/t10-/m0/s1