[2-[(3-aminocarbonylthiophen-2-yl)amino]-2-oxidanylidene-ethyl]-[(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-ethyl-azanium

Systemtic Name: [2-[(3-aminocarbonylthiophen-2-yl)amino]-2-oxidanylidene-ethyl]-[(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-ethyl-azanium Openeye Name: [2-[(3-carbamoyl-2-thienyl)amino]-2-oxo-ethyl]-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]-ethyl-ammonium CAS Name: [2-[(3-carbamoyl-2-thiophenyl)amino]-2-oxoethyl]-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]-ethylammonium IUPAC Name: [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]-ethylazanium Traditional Name: [2-[(3-carbamoyl-2-thienyl)amino]-2-keto-ethyl]-ethyl-[(4-keto-6,7-dimethoxy-1H-quinazolin-2-yl)methyl]ammonium Formula: C20H24N5O5S+ MolecularWeight: 446.50006

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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=C(C=CS3)C(=O)N

Isomeric SMILES

CC[NH+](CC1=NC(=O)C2=CC(=C(C=C2N1)OC)OC)CC(=O)NC3=C(C=CS3)C(=O)N

InChI

InChI=1S/C20H23N5O5S/c1-4-25(10-17(26)24-20-11(18(21)27)5-6-31-20)9-16-22-13-8-15(30-3)14(29-2)7-12(13)19(28)23-16/h5-8H,4,9-10H2,1-3H3,(H2,21,27)(H,24,26)(H,22,23,28)/p+1