[2-[(2,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]-ethyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium

Systemtic Name: [2-[(2,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]-ethyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium Openeye Name: [2-(2,5-dimethoxyanilino)-2-oxo-ethyl]-ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium CAS Name: [2-(2,5-dimethoxyanilino)-2-oxoethyl]-ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium IUPAC Name: [2-(2,5-dimethoxyanilino)-2-oxoethyl]-ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium Traditional Name: [2-(2,5-dimethoxyanilino)-2-keto-ethyl]-ethyl-[(4-keto-1H-quinazolin-2-yl)methyl]ammonium Formula: C21H25N4O4+ MolecularWeight: 397.4476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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