4-[[1,3-bis(oxidanyl)-1-oxidanylidene-propan-2-yl]amino]quinazoline-7-carboxylic acid hydrochloride

Systemtic Name: 4-[[1,3-bis(oxidanyl)-1-oxidanylidene-propan-2-yl]amino]quinazoline-7-carboxylic acid hydrochloride Openeye Name: 4-[[2-hydroxy-1-(hydroxymethyl)-2-oxo-ethyl]amino]quinazoline-7-carboxylic acid hydrochloride CAS Name: 4-[(1,3-dihydroxy-1-oxopropan-2-yl)amino]-7-quinazolinecarboxylic acid hydrochloride IUPAC Name: 4-[(1,3-dihydroxy-1-oxopropan-2-yl)amino]quinazoline-7-carboxylic acid hydrochloride Traditional Name: 4-[(2-hydroxy-2-keto-1-methylol-ethyl)amino]quinazoline-7-carboxylic acid hydrochloride Formula: C12H12ClN3O5 MolecularWeight: 313.69378

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)O)N=CN=C2NC(CO)C(=O)O.Cl

Isomeric SMILES

C1=CC2=C(C=C1C(=O)O)N=CN=C2NC(CO)C(=O)O.Cl

InChI

InChI=1S/C12H11N3O5.ClH/c16-4-9(12(19)20)15-10-7-2-1-6(11(17)18)3-8(7)13-5-14-10;/h1-3,5,9,16H,4H2,(H,17,18)(H,19,20)(H,13,14,15);1H