(2R)-4-azanyl-2-[[2-[(dimethylazaniumyl)methyl]quinazolin-4-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: (2R)-4-azanyl-2-[[2-[(dimethylazaniumyl)methyl]quinazolin-4-yl]amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-4-amino-2-[[2-[(dimethylammonio)methyl]quinazolin-4-yl]amino]-4-oxo-butanoate CAS Name: (2R)-4-amino-2-[[2-[(dimethylammonio)methyl]-4-quinazolinyl]amino]-4-oxobutanoate IUPAC Name: (2R)-4-amino-2-[[2-[(dimethylazaniumyl)methyl]quinazolin-4-yl]amino]-4-oxobutanoate Traditional Name: (2R)-4-amino-2-[[2-[(dimethylammonio)methyl]quinazolin-4-yl]amino]-4-keto-butyrate Formula: C15H19N5O3 MolecularWeight: 317.34306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=NC2=CC=CC=C2C(=N1)NC(CC(=O)N)C(=O)[O-]

Isomeric SMILES

C[NH+](C)CC1=NC2=CC=CC=C2C(=N1)N[C@H](CC(=O)N)C(=O)[O-]

InChI

InChI=1S/C15H19N5O3/c1-20(2)8-13-17-10-6-4-3-5-9(10)14(19-13)18-11(15(22)23)7-12(16)21/h3-6,11H,7-8H2,1-2H3,(H2,16,21)(H,22,23)(H,17,18,19)/t11-/m1/s1