1-(4-pyridin-2-ylpiperazin-1-yl)-6-[(2-sulfanylidene-1H-quinazolin-4-yl)amino]hexan-1-one

Systemtic Name: 1-(4-pyridin-2-ylpiperazin-1-yl)-6-[(2-sulfanylidene-1H-quinazolin-4-yl)amino]hexan-1-one Openeye Name: 1-[4-(2-pyridyl)piperazin-1-yl]-6-[(2-thioxo-1H-quinazolin-4-yl)amino]hexan-1-one CAS Name: 1-[4-(2-pyridinyl)-1-piperazinyl]-6-[(2-sulfanylidene-1H-quinazolin-4-yl)amino]-1-hexanone IUPAC Name: 1-(4-pyridin-2-ylpiperazin-1-yl)-6-[(2-sulfanylidene-1H-quinazolin-4-yl)amino]hexan-1-one Traditional Name: 1-[4-(2-pyridyl)piperazino]-6-[(2-thioxo-1H-quinazolin-4-yl)amino]hexan-1-one Formula: C23H28N6OS MolecularWeight: 436.57302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C(=O)CCCCCNC3=NC(=S)NC4=CC=CC=C43

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C(=O)CCCCCNC3=NC(=S)NC4=CC=CC=C43

InChI

InChI=1S/C23H28N6OS/c30-21(29-16-14-28(15-17-29)20-10-5-7-12-24-20)11-2-1-6-13-25-22-18-8-3-4-9-19(18)26-23(31)27-22/h3-5,7-10,12H,1-2,6,11,13-17H2,(H2,25,26,27,31)