6-morpholin-4-yl-3-[6-oxidanylidene-6-(4-pyridin-2-ylpiperazin-1-yl)hexyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 6-morpholin-4-yl-3-[6-oxidanylidene-6-(4-pyridin-2-ylpiperazin-1-yl)hexyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 6-morpholino-3-[6-oxo-6-[4-(2-pyridyl)piperazin-1-yl]hexyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 6-(4-morpholinyl)-3-[6-oxo-6-[4-(2-pyridinyl)-1-piperazinyl]hexyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 6-morpholin-4-yl-3-[6-oxo-6-(4-pyridin-2-ylpiperazin-1-yl)hexyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[6-keto-6-[4-(2-pyridyl)piperazino]hexyl]-6-morpholino-2-thioxo-1H-quinazolin-4-one Formula: C27H34N6O3S MolecularWeight: 522.66226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C(=O)CCCCCN3C(=O)C4=C(C=CC(=C4)N5CCOCC5)NC3=S

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C(=O)CCCCCN3C(=O)C4=C(C=CC(=C4)N5CCOCC5)NC3=S

InChI

InChI=1S/C27H34N6O3S/c34-25(32-14-12-31(13-15-32)24-6-3-4-10-28-24)7-2-1-5-11-33-26(35)22-20-21(30-16-18-36-19-17-30)8-9-23(22)29-27(33)37/h3-4,6,8-10,20H,1-2,5,7,11-19H2,(H,29,37)