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

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl]-[(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-ethyl-azanium Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl]-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]-ethyl-ammonium CAS Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]-ethylammonium IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]-ethylazanium Traditional Name: [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl]-ethyl-[(4-keto-6,7-dimethoxy-1H-quinazolin-2-yl)methyl]ammonium Formula: C21H28N5O4+ MolecularWeight: 414.47812

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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(CCCC3)C#N

Isomeric SMILES

CC[NH+](CC1=NC(=O)C2=CC(=C(C=C2N1)OC)OC)CC(=O)NC3(CCCC3)C#N

InChI

InChI=1S/C21H27N5O4/c1-4-26(12-19(27)25-21(13-22)7-5-6-8-21)11-18-23-15-10-17(30-3)16(29-2)9-14(15)20(28)24-18/h9-10H,4-8,11-12H2,1-3H3,(H,25,27)(H,23,24,28)/p+1