7-chloranyl-2-[[methyl-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]azaniumyl]methyl]quinazolin-4-olate

Systemtic Name: 7-chloranyl-2-[[methyl-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]azaniumyl]methyl]quinazolin-4-olate Openeye Name: 7-chloro-2-[[[2-(isopropylamino)-2-oxo-ethyl]-methyl-ammonio]methyl]quinazolin-4-olate CAS Name: 7-chloro-2-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]ammonio]methyl]-4-quinazolinolate IUPAC Name: 7-chloro-2-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azaniumyl]methyl]quinazolin-4-olate Traditional Name: 7-chloro-2-[[[2-(isopropylamino)-2-keto-ethyl]-methyl-ammonio]methyl]quinazolin-4-olate Formula: C15H19ClN4O2 MolecularWeight: 322.78996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19ClN4O2/c1-9(2)17-14(21)8-20(3)7-13-18-12-6-10(16)4-5-11(12)15(22)19-13/h4-6,9H,7-8H2,1-3H3,(H,17,21)(H,18,19,22)