[2-(4,6-Dimethyl-quinazolin-2-ylamino)-5-oxo-4,5-dihydro-1H-imidazol-4-yl]-acetic acid
[CAS# 345951-23-7]

Identification

• Name: [2-(4,6-Dimethyl-quinazolin-2-ylamino)-5-oxo-4,5-dihydro-1H-imidazol-4-yl]-acetic acid
• Synonyms: 2-[(4S)-2-[(4,6-Dimethyl-2-Quinazolinyl)Amino]-5-Oxo-1,4-Dihydroimidazol-3-Ium-4-Yl]Acetate; 2-[(4S)-2-[(4,6-Dimethylquinazolin-2-Yl)Amino]-5-Keto-1,4-Dihydroimidazol-3-Ium-4-Yl]Acetate; 2-[(4S)-2-[(4,6-Dimethylquinazolin-2-Yl)Amino]-5-Oxo-1,4-Dihydroimidazol-3-Ium-4-Yl]Ethanoate
• Molecular Formula: C₁₅H₁₅N₅O₃
• Molecular Weight: 313.32
• CAS Registry Number: 345951-23-7
• SMILES: [C@H]1(NC(=[NH+]C1=O)NC2=NC3=C(C(=N2)C)C=C(C=C3)C)CC([O-])=O
• InChI: 1S/C15H15N5O3/c1-7-3-4-10-9(5-7)8(2)16-14(17-10)20-15-18-11(6-12(21)22)13(23)19-15/h3-5,11H,6H2,1-2H3,(H,21,22)(H2,16,17,18,19,20,23)/t11-/m0/s1
• InChIKey: OHBOLJGIJSNQJX-NSHDSACASA-N

Properties

• Density: 1.549g/cm³ (Cal.)