4-[4-(dimethylazaniumyl)butylamino]quinazoline-7-carboxylate

Systemtic Name: 4-[4-(dimethylazaniumyl)butylamino]quinazoline-7-carboxylate Openeye Name: 4-[4-(dimethylammonio)butylamino]quinazoline-7-carboxylate CAS Name: 4-[4-(dimethylammonio)butylamino]-7-quinazolinecarboxylate IUPAC Name: 4-[4-(dimethylazaniumyl)butylamino]quinazoline-7-carboxylate Traditional Name: 4-[4-(dimethylammonio)butylamino]quinazoline-7-carboxylate Formula: C15H20N4O2 MolecularWeight: 288.3449

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCCNC1=NC=NC2=C1C=CC(=C2)C(=O)[O-]

Isomeric SMILES

C[NH+](C)CCCCNC1=NC=NC2=C1C=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C15H20N4O2/c1-19(2)8-4-3-7-16-14-12-6-5-11(15(20)21)9-13(12)17-10-18-14/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,20,21)(H,16,17,18)