(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl-ethyl-(2-oxidanylidene-2-phenylazanyl-ethyl)azanium

Systemtic Name: (6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl-ethyl-(2-oxidanylidene-2-phenylazanyl-ethyl)azanium Openeye Name: (2-anilino-2-oxo-ethyl)-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]-ethyl-ammonium CAS Name: (2-anilino-2-oxoethyl)-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]-ethylammonium IUPAC Name: (2-anilino-2-oxoethyl)-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]-ethylazanium Traditional Name: (2-anilino-2-keto-ethyl)-ethyl-[(4-keto-6,7-dimethoxy-1H-quinazolin-2-yl)methyl]ammonium Formula: C21H25N4O4+ MolecularWeight: 397.4476

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=NC(=O)C2=CC(=C(C=C2N1)OC)OC)CC(=O)NC3=CC=CC=C3

Isomeric SMILES

CC[NH+](CC1=NC(=O)C2=CC(=C(C=C2N1)OC)OC)CC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H24N4O4/c1-4-25(13-20(26)22-14-8-6-5-7-9-14)12-19-23-16-11-18(29-3)17(28-2)10-15(16)21(27)24-19/h5-11H,4,12-13H2,1-3H3,(H,22,26)(H,23,24,27)/p+1