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

Systemtic Name: 6-bromanyl-3-[4-oxidanylidene-4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 6-bromo-3-[4-oxo-4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 6-bromo-3-[4-oxo-4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 6-bromo-3-[4-oxo-4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 6-bromo-3-[4-keto-4-[4-(2-pyrimidyl)piperazino]butyl]-2-thioxo-1H-quinazolin-4-one Formula: C20H21BrN6O2S MolecularWeight: 489.38874

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)CCCN3C(=O)C4=C(C=CC(=C4)Br)NC3=S

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)CCCN3C(=O)C4=C(C=CC(=C4)Br)NC3=S

InChI

InChI=1S/C20H21BrN6O2S/c21-14-4-5-16-15(13-14)18(29)27(20(30)24-16)8-1-3-17(28)25-9-11-26(12-10-25)19-22-6-2-7-23-19/h2,4-7,13H,1,3,8-12H2,(H,24,30)