molecular hydrogen; 2-(quinazolin-4-ylamino)pentanedioic acid; hydrochloride

Systemtic Name: molecular hydrogen; 2-(quinazolin-4-ylamino)pentanedioic acid; hydrochloride Openeye Name: molecular hydrogen; 2-(quinazolin-4-ylamino)pentanedioic acid; hydrochloride CAS Name: molecular hydrogen; 2-(4-quinazolinylamino)pentanedioic acid; hydrochloride IUPAC Name: molecular hydrogen; 2-(quinazolin-4-ylamino)pentanedioic acid; hydrochloride Traditional Name: molecular hydrogen; 2-(quinazolin-4-ylamino)glutaric acid; hydrochloride Formula: C13H16ClN3O4 MolecularWeight: 313.73684

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Descriptors Computed from Structure

Canonical SMILES:

[HH].C1=CC=C2C(=C1)C(=NC=N2)NC(CCC(=O)O)C(=O)O.Cl

Isomeric SMILES

[HH].C1=CC=C2C(=C1)C(=NC=N2)NC(CCC(=O)O)C(=O)O.Cl

InChI

InChI=1S/C13H13N3O4.ClH.H2/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);2*1H