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

Systemtic Name: 3-[4-oxidanylidene-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[4-oxo-4-[4-(2-pyridyl)piperazin-1-yl]butyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[4-oxo-4-[4-(2-pyridinyl)-1-piperazinyl]butyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[4-keto-4-[4-(2-pyridyl)piperazino]butyl]-2-thioxo-1H-quinazolin-4-one Formula: C21H23N5O2S MolecularWeight: 409.50462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C(=O)CCCN3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C(=O)CCCN3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C21H23N5O2S/c27-19(25-14-12-24(13-15-25)18-8-3-4-10-22-18)9-5-11-26-20(28)16-6-1-2-7-17(16)23-21(26)29/h1-4,6-8,10H,5,9,11-15H2,(H,23,29)