3-(2-methoxyethyl)-N-methyl-4-oxidanylidene-N-(2-pyridin-1-ium-2-ylethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-(2-methoxyethyl)-N-methyl-4-oxidanylidene-N-(2-pyridin-1-ium-2-ylethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-(2-methoxyethyl)-N-methyl-4-oxo-N-(2-pyridin-1-ium-2-ylethyl)-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(2-methoxyethyl)-N-methyl-4-oxo-N-[2-(2-pyridin-1-iumyl)ethyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-(2-methoxyethyl)-N-methyl-4-oxo-N-(2-pyridin-1-ium-2-ylethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-3-(2-methoxyethyl)-N-methyl-N-(2-pyridin-1-ium-2-ylethyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C20H23N4O3S+ MolecularWeight: 399.48662

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=[NH+]1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CCOC

Isomeric SMILES

CN(CCC1=CC=CC=[NH+]1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CCOC

InChI

InChI=1S/C20H22N4O3S/c1-23(10-8-15-5-3-4-9-21-15)18(25)14-6-7-16-17(13-14)22-20(28)24(19(16)26)11-12-27-2/h3-7,9,13H,8,10-12H2,1-2H3,(H,22,28)/p+1