[3-(2-azanyl-2-oxidanylidene-ethyl)-4-oxidanylidene-quinazolin-2-yl]methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium

Systemtic Name: [3-(2-azanyl-2-oxidanylidene-ethyl)-4-oxidanylidene-quinazolin-2-yl]methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium Openeye Name: [3-(2-amino-2-oxo-ethyl)-4-oxo-quinazolin-2-yl]methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]ammonium CAS Name: [3-(2-amino-2-oxoethyl)-4-oxo-2-quinazolinyl]methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]ammonium IUPAC Name: [3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium Traditional Name: [3-(2-amino-2-keto-ethyl)-4-keto-quinazolin-2-yl]methyl-methyl-[4-(methylcarbamoyl)benzyl]ammonium Formula: C21H24N5O3+ MolecularWeight: 394.44696

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)C[NH+](C)CC2=NC3=CC=CC=C3C(=O)N2CC(=O)N

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)C[NH+](C)CC2=NC3=CC=CC=C3C(=O)N2CC(=O)N

InChI

InChI=1S/C21H23N5O3/c1-23-20(28)15-9-7-14(8-10-15)11-25(2)13-19-24-17-6-4-3-5-16(17)21(29)26(19)12-18(22)27/h3-10H,11-13H2,1-2H3,(H2,22,27)(H,23,28)/p+1