3-[3-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanenitrile

Systemtic Name: 3-[3-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanenitrile Openeye Name: 3-[3-(3-morpholin-4-ium-4-ylpropyl)-4-oxo-quinazolin-2-yl]sulfanylpropanenitrile CAS Name: 3-[[3-[3-(4-morpholin-4-iumyl)propyl]-4-oxo-2-quinazolinyl]thio]propanenitrile IUPAC Name: 3-[3-(3-morpholin-4-ium-4-ylpropyl)-4-oxoquinazolin-2-yl]sulfanylpropanenitrile Traditional Name: 3-[[4-keto-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-2-yl]thio]propionitrile Formula: C18H23N4O2S+ MolecularWeight: 359.46582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCN2C(=O)C3=CC=CC=C3N=C2SCCC#N

Isomeric SMILES

C1COCC[NH+]1CCCN2C(=O)C3=CC=CC=C3N=C2SCCC#N

InChI

InChI=1S/C18H22N4O2S/c19-7-3-14-25-18-20-16-6-2-1-5-15(16)17(23)22(18)9-4-8-21-10-12-24-13-11-21/h1-2,5-6H,3-4,8-14H2/p+1