(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl-ethyl-(3-oxidanylidene-3-phenylazanyl-propyl)azanium

Systemtic Name: (6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl-ethyl-(3-oxidanylidene-3-phenylazanyl-propyl)azanium Openeye Name: (3-anilino-3-oxo-propyl)-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]-ethyl-ammonium CAS Name: (3-anilino-3-oxopropyl)-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]-ethylammonium IUPAC Name: (3-anilino-3-oxopropyl)-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]-ethylazanium Traditional Name: (3-anilino-3-keto-propyl)-ethyl-[(4-keto-6,7-dimethoxy-1H-quinazolin-2-yl)methyl]ammonium Formula: C22H27N4O4+ MolecularWeight: 411.47418

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CCC(=O)NC1=CC=CC=C1)CC2=NC(=O)C3=CC(=C(C=C3N2)OC)OC

Isomeric SMILES

CC[NH+](CCC(=O)NC1=CC=CC=C1)CC2=NC(=O)C3=CC(=C(C=C3N2)OC)OC

InChI

InChI=1S/C22H26N4O4/c1-4-26(11-10-21(27)23-15-8-6-5-7-9-15)14-20-24-17-13-19(30-3)18(29-2)12-16(17)22(28)25-20/h5-9,12-13H,4,10-11,14H2,1-3H3,(H,23,27)(H,24,25,28)/p+1