6-chloranyl-3-(2-morpholin-4-ium-4-ylethyl)-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 6-chloranyl-3-(2-morpholin-4-ium-4-ylethyl)-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 6-chloro-3-(2-morpholin-4-ium-4-ylethyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 6-chloro-3-[2-(4-morpholin-4-iumyl)ethyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 6-chloro-3-(2-morpholin-4-ium-4-ylethyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 6-chloro-3-(2-morpholin-4-ium-4-ylethyl)-2-thioxo-1H-quinazolin-4-one Formula: C14H17ClN3O2S+ MolecularWeight: 326.82168

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCN2C(=O)C3=C(C=CC(=C3)Cl)NC2=S

Isomeric SMILES

C1COCC[NH+]1CCN2C(=O)C3=C(C=CC(=C3)Cl)NC2=S

InChI

InChI=1S/C14H16ClN3O2S/c15-10-1-2-12-11(9-10)13(19)18(14(21)16-12)4-3-17-5-7-20-8-6-17/h1-2,9H,3-8H2,(H,16,21)/p+1