methyl 3-(2-morpholin-4-ium-4-ylethyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 3-(2-morpholin-4-ium-4-ylethyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 3-(2-morpholin-4-ium-4-ylethyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 3-[2-(4-morpholin-4-iumyl)ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 3-(2-morpholin-4-ium-4-ylethyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-3-(2-morpholin-4-ium-4-ylethyl)-2-thioxo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C16H20N3O4S+ MolecularWeight: 350.4127

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC[NH+]3CCOCC3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC[NH+]3CCOCC3

InChI

InChI=1S/C16H19N3O4S/c1-22-15(21)11-2-3-12-13(10-11)17-16(24)19(14(12)20)5-4-18-6-8-23-9-7-18/h2-3,10H,4-9H2,1H3,(H,17,24)/p+1