4-[2-(dimethylazaniumyl)ethylamino]quinazoline-5-carboxylate

Systemtic Name: 4-[2-(dimethylazaniumyl)ethylamino]quinazoline-5-carboxylate Openeye Name: 4-[2-(dimethylammonio)ethylamino]quinazoline-5-carboxylate CAS Name: 4-[2-(dimethylammonio)ethylamino]-5-quinazolinecarboxylate IUPAC Name: 4-[2-(dimethylazaniumyl)ethylamino]quinazoline-5-carboxylate Traditional Name: 4-[2-(dimethylammonio)ethylamino]quinazoline-5-carboxylate Formula: C13H16N4O2 MolecularWeight: 260.29174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC1=NC=NC2=CC=CC(=C21)C(=O)[O-]

Isomeric SMILES

C[NH+](C)CCNC1=NC=NC2=CC=CC(=C21)C(=O)[O-]

InChI

InChI=1S/C13H16N4O2/c1-17(2)7-6-14-12-11-9(13(18)19)4-3-5-10(11)15-8-16-12/h3-5,8H,6-7H2,1-2H3,(H,18,19)(H,14,15,16)