3-[(2-methoxyphenyl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-[(2-methoxyphenyl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-[(2-methoxyphenyl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-[(2-methoxyphenyl)methyl]-N-[2-(4-morpholin-4-iumyl)ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-[(2-methoxyphenyl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-N-(2-morpholin-4-ium-4-ylethyl)-3-o-anisyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C23H27N4O4S+ MolecularWeight: 455.54988

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CN2C(=O)C3=C(C=C(C=C3)C(=O)NCC[NH+]4CCOCC4)NC2=S

Isomeric SMILES

COC1=CC=CC=C1CN2C(=O)C3=C(C=C(C=C3)C(=O)NCC[NH+]4CCOCC4)NC2=S

InChI

InChI=1S/C23H26N4O4S/c1-30-20-5-3-2-4-17(20)15-27-22(29)18-7-6-16(14-19(18)25-23(27)32)21(28)24-8-9-26-10-12-31-13-11-26/h2-7,14H,8-13,15H2,1H3,(H,24,28)(H,25,32)/p+1