[(2S)-2-cyanopropyl]-[(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-ethyl-azanium

Systemtic Name: [(2S)-2-cyanopropyl]-[(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-ethyl-azanium Openeye Name: [(2S)-2-cyanopropyl]-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]-ethyl-ammonium CAS Name: [(2S)-2-cyanopropyl]-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]-ethylammonium IUPAC Name: [(2S)-2-cyanopropyl]-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]-ethylazanium Traditional Name: [(2S)-2-cyanopropyl]-ethyl-[(4-keto-6,7-dimethoxy-1H-quinazolin-2-yl)methyl]ammonium Formula: C17H23N4O3+ MolecularWeight: 331.38952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=NC(=O)C2=CC(=C(C=C2N1)OC)OC)CC(C)C#N

Isomeric SMILES

CC[NH+](CC1=NC(=O)C2=CC(=C(C=C2N1)OC)OC)C[C@H](C)C#N

InChI

InChI=1S/C17H22N4O3/c1-5-21(9-11(2)8-18)10-16-19-13-7-15(24-4)14(23-3)6-12(13)17(22)20-16/h6-7,11H,5,9-10H2,1-4H3,(H,19,20,22)/p+1/t11-/m1/s1