2-[[(3-azanyl-3-oxidanylidene-propyl)-propyl-azaniumyl]methyl]-7-chloranyl-quinazolin-4-olate

Systemtic Name: 2-[[(3-azanyl-3-oxidanylidene-propyl)-propyl-azaniumyl]methyl]-7-chloranyl-quinazolin-4-olate Openeye Name: 2-[[(3-amino-3-oxo-propyl)-propyl-ammonio]methyl]-7-chloro-quinazolin-4-olate CAS Name: 2-[[(3-amino-3-oxopropyl)-propylammonio]methyl]-7-chloro-4-quinazolinolate IUPAC Name: 2-[[(3-amino-3-oxopropyl)-propylazaniumyl]methyl]-7-chloroquinazolin-4-olate Traditional Name: 2-[[(3-amino-3-keto-propyl)-propyl-ammonio]methyl]-7-chloro-quinazolin-4-olate Formula: C15H19ClN4O2 MolecularWeight: 322.78996

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CCC(=O)N)CC1=NC2=C(C=CC(=C2)Cl)C(=N1)[O-]

Isomeric SMILES

CCC[NH+](CCC(=O)N)CC1=NC2=C(C=CC(=C2)Cl)C(=N1)[O-]

InChI

InChI=1S/C15H19ClN4O2/c1-2-6-20(7-5-13(17)21)9-14-18-12-8-10(16)3-4-11(12)15(22)19-14/h3-4,8H,2,5-7,9H2,1H3,(H2,17,21)(H,18,19,22)