2-[(2-propan-2-ylquinazolin-4-yl)azaniumyl]ethanoate

Systemtic Name: 2-[(2-propan-2-ylquinazolin-4-yl)azaniumyl]ethanoate Openeye Name: 2-[(2-isopropylquinazolin-4-yl)ammonio]acetate CAS Name: 2-[(2-propan-2-yl-4-quinazolinyl)ammonio]acetate IUPAC Name: 2-[(2-propan-2-ylquinazolin-4-yl)azaniumyl]acetate Traditional Name: 2-[(2-isopropylquinazolin-4-yl)ammonio]acetate Formula: C13H15N3O2 MolecularWeight: 245.2771

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=CC=CC=C2C(=N1)[NH2+]CC(=O)[O-]

Isomeric SMILES

CC(C)C1=NC2=CC=CC=C2C(=N1)[NH2+]CC(=O)[O-]

InChI

InChI=1S/C13H15N3O2/c1-8(2)12-15-10-6-4-3-5-9(10)13(16-12)14-7-11(17)18/h3-6,8H,7H2,1-2H3,(H,17,18)(H,14,15,16)