4-[2-(dimethylazaniumyl)ethylamino]quinazoline-7-carboxylate

Systemtic Name: 4-[2-(dimethylazaniumyl)ethylamino]quinazoline-7-carboxylate Openeye Name: 4-[2-(dimethylammonio)ethylamino]quinazoline-7-carboxylate CAS Name: 4-[2-(dimethylammonio)ethylamino]-7-quinazolinecarboxylate IUPAC Name: 4-[2-(dimethylazaniumyl)ethylamino]quinazoline-7-carboxylate Traditional Name: 4-[2-(dimethylammonio)ethylamino]quinazoline-7-carboxylate Formula: C13H16N4O2 MolecularWeight: 260.29174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC1=NC=NC2=C1C=CC(=C2)C(=O)[O-]

Isomeric SMILES

C[NH+](C)CCNC1=NC=NC2=C1C=CC(=C2)C(=O)[O-]

InChI

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