molecular hydrogen; 4-(quinazolin-4-ylamino)butanoic acid; hydrochloride

Systemtic Name: molecular hydrogen; 4-(quinazolin-4-ylamino)butanoic acid; hydrochloride Openeye Name: molecular hydrogen; 4-(quinazolin-4-ylamino)butanoic acid; hydrochloride CAS Name: molecular hydrogen; 4-(4-quinazolinylamino)butanoic acid; hydrochloride IUPAC Name: molecular hydrogen; 4-(quinazolin-4-ylamino)butanoic acid; hydrochloride Traditional Name: molecular hydrogen; 4-(quinazolin-4-ylamino)butyric acid; hydrochloride Formula: C12H16ClN3O2 MolecularWeight: 269.72734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O2.ClH.H2/c16-11(17)6-3-7-13-12-9-4-1-2-5-10(9)14-8-15-12;;/h1-2,4-5,8H,3,6-7H2,(H,16,17)(H,13,14,15);2*1H