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

Systemtic Name: 3-[6-oxidanylidene-6-(4-pyrimidin-2-ylpiperazin-1-yl)hexyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[6-oxo-6-(4-pyrimidin-2-ylpiperazin-1-yl)hexyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[6-oxo-6-[4-(2-pyrimidinyl)-1-piperazinyl]hexyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[6-oxo-6-(4-pyrimidin-2-ylpiperazin-1-yl)hexyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[6-keto-6-[4-(2-pyrimidyl)piperazino]hexyl]-2-thioxo-1H-quinazolin-4-one Formula: C22H26N6O2S MolecularWeight: 438.54584

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)CCCCCN3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)CCCCCN3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C22H26N6O2S/c29-19(26-13-15-27(16-14-26)21-23-10-6-11-24-21)9-2-1-5-12-28-20(30)17-7-3-4-8-18(17)25-22(28)31/h3-4,6-8,10-11H,1-2,5,9,12-16H2,(H,25,31)