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

Systemtic Name: molecular hydrogen; 2-(quinazolin-4-ylamino)butanedioic acid; hydrochloride Openeye Name: molecular hydrogen; 2-(quinazolin-4-ylamino)butanedioic acid; hydrochloride CAS Name: molecular hydrogen; 2-(4-quinazolinylamino)butanedioic acid; hydrochloride IUPAC Name: molecular hydrogen; 2-(quinazolin-4-ylamino)butanedioic acid; hydrochloride Traditional Name: molecular hydrogen; 2-(quinazolin-4-ylamino)succinic acid; hydrochloride Formula: C12H14ClN3O4 MolecularWeight: 299.71026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N3O4.ClH.H2/c16-10(17)5-9(12(18)19)15-11-7-3-1-2-4-8(7)13-6-14-11;;/h1-4,6,9H,5H2,(H,16,17)(H,18,19)(H,13,14,15);2*1H