2-[[3-[3-(diethylamino)propyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 2-[[3-[3-(diethylamino)propyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[3-[3-(diethylamino)propyl]-4-oxo-quinazolin-2-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[3-[3-(diethylamino)propyl]-4-oxo-2-quinazolinyl]thio]methyl]benzonitrile IUPAC Name: 2-[[3-[3-(diethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[3-[3-(diethylamino)propyl]-4-keto-quinazolin-2-yl]thio]methyl]benzonitrile Formula: C23H26N4OS MolecularWeight: 406.54374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=CC=C3C#N

Isomeric SMILES

CCN(CC)CCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=CC=C3C#N

InChI

InChI=1S/C23H26N4OS/c1-3-26(4-2)14-9-15-27-22(28)20-12-7-8-13-21(20)25-23(27)29-17-19-11-6-5-10-18(19)16-24/h5-8,10-13H,3-4,9,14-15,17H2,1-2H3