(2R)-2-[(6,7-dimethoxyquinazolin-4-yl)azaniumyl]-4-methyl-pentanoate

Systemtic Name: (2R)-2-[(6,7-dimethoxyquinazolin-4-yl)azaniumyl]-4-methyl-pentanoate Openeye Name: (2R)-2-[(6,7-dimethoxyquinazolin-4-yl)ammonio]-4-methyl-pentanoate CAS Name: (2R)-2-[(6,7-dimethoxy-4-quinazolinyl)ammonio]-4-methylpentanoate IUPAC Name: (2R)-2-[(6,7-dimethoxyquinazolin-4-yl)azaniumyl]-4-methylpentanoate Traditional Name: (2R)-2-[(6,7-dimethoxyquinazolin-4-yl)ammonio]-4-methyl-valerate Formula: C16H21N3O4 MolecularWeight: 319.35564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)[O-])[NH2+]C1=NC=NC2=CC(=C(C=C21)OC)OC

Isomeric SMILES

CC(C)C[C@H](C(=O)[O-])[NH2+]C1=NC=NC2=CC(=C(C=C21)OC)OC

InChI

InChI=1S/C16H21N3O4/c1-9(2)5-12(16(20)21)19-15-10-6-13(22-3)14(23-4)7-11(10)17-8-18-15/h6-9,12H,5H2,1-4H3,(H,20,21)(H,17,18,19)/t12-/m1/s1