7-chloranyl-2-[[[2-(2-methylpropylamino)-2-oxidanylidene-ethyl]-propyl-azaniumyl]methyl]quinazolin-4-olate

Systemtic Name: 7-chloranyl-2-[[[2-(2-methylpropylamino)-2-oxidanylidene-ethyl]-propyl-azaniumyl]methyl]quinazolin-4-olate Openeye Name: 7-chloro-2-[[[2-(isobutylamino)-2-oxo-ethyl]-propyl-ammonio]methyl]quinazolin-4-olate CAS Name: 7-chloro-2-[[[2-(2-methylpropylamino)-2-oxoethyl]-propylammonio]methyl]-4-quinazolinolate IUPAC Name: 7-chloro-2-[[[2-(2-methylpropylamino)-2-oxoethyl]-propylazaniumyl]methyl]quinazolin-4-olate Traditional Name: 7-chloro-2-[[[2-(isobutylamino)-2-keto-ethyl]-propyl-ammonio]methyl]quinazolin-4-olate Formula: C18H25ClN4O2 MolecularWeight: 364.8697

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25ClN4O2/c1-4-7-23(11-17(24)20-9-12(2)3)10-16-21-15-8-13(19)5-6-14(15)18(25)22-16/h5-6,8,12H,4,7,9-11H2,1-3H3,(H,20,24)(H,21,22,25)