2-[3-(methylazaniumyl)propylcarbamoyl]quinazolin-4-olate

Systemtic Name: 2-[3-(methylazaniumyl)propylcarbamoyl]quinazolin-4-olate Openeye Name: 2-[3-(methylammonio)propylcarbamoyl]quinazolin-4-olate CAS Name: 2-[[3-(methylammonio)propylamino]-oxomethyl]-4-quinazolinolate IUPAC Name: 2-[3-(methylazaniumyl)propylcarbamoyl]quinazolin-4-olate Traditional Name: 2-[3-(methylammonio)propylcarbamoyl]quinazolin-4-olate Formula: C13H16N4O2 MolecularWeight: 260.29174

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]CCCNC(=O)C1=NC2=CC=CC=C2C(=N1)[O-]

Isomeric SMILES

C[NH2+]CCCNC(=O)C1=NC2=CC=CC=C2C(=N1)[O-]

InChI

InChI=1S/C13H16N4O2/c1-14-7-4-8-15-13(19)11-16-10-6-3-2-5-9(10)12(18)17-11/h2-3,5-6,14H,4,7-8H2,1H3,(H,15,19)(H,16,17,18)