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

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl]-[(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-ethyl-azanium Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl]-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]-ethyl-ammonium CAS Name: [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl]-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]-ethylammonium IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]-ethylazanium Traditional Name: [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl]-ethyl-[(4-keto-6,7-dimethoxy-1H-quinazolin-2-yl)methyl]ammonium Formula: C20H22N5O4S+ MolecularWeight: 428.48478

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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#N

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O4S/c1-4-25(11-18(26)24-20-12(9-21)5-6-30-20)10-17-22-14-8-16(29-3)15(28-2)7-13(14)19(27)23-17/h5-8H,4,10-11H2,1-3H3,(H,24,26)(H,22,23,27)/p+1