(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl-[2-[(3-ethoxycarbonyl-4,5-dimethyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-ethyl-azanium

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl-[2-[(3-ethoxycarbonyl-4,5-dimethyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-ethyl-azanium Openeye Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl-[2-[(3-ethoxycarbonyl-4,5-dimethyl-2-thienyl)amino]-2-oxo-ethyl]-ethyl-ammonium CAS Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl-[2-[(3-ethoxycarbonyl-4,5-dimethyl-2-thiophenyl)amino]-2-oxoethyl]-ethylammonium IUPAC Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl-[2-[(3-ethoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]-ethylazanium Traditional Name: [2-[(3-carbethoxy-4,5-dimethyl-2-thienyl)amino]-2-keto-ethyl]-[(7-chloro-4-keto-1H-quinazolin-2-yl)methyl]-ethyl-ammonium Formula: C22H26ClN4O4S+ MolecularWeight: 477.98424

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)CC(=O)NC3=C(C(=C(S3)C)C)C(=O)OCC

Isomeric SMILES

CC[NH+](CC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)CC(=O)NC3=C(C(=C(S3)C)C)C(=O)OCC

InChI

InChI=1S/C22H25ClN4O4S/c1-5-27(10-17-24-16-9-14(23)7-8-15(16)20(29)25-17)11-18(28)26-21-19(22(30)31-6-2)12(3)13(4)32-21/h7-9H,5-6,10-11H2,1-4H3,(H,26,28)(H,24,25,29)/p+1