6-bromanyl-3-[4-oxidanylidene-4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1H-quinazoline-2,4-dione

Systemtic Name: 6-bromanyl-3-[4-oxidanylidene-4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1H-quinazoline-2,4-dione Openeye Name: 6-bromo-3-[4-oxo-4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1H-quinazoline-2,4-dione CAS Name: 6-bromo-3-[4-oxo-4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-1H-quinazoline-2,4-dione IUPAC Name: 6-bromo-3-[4-oxo-4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1H-quinazoline-2,4-dione Traditional Name: 6-bromo-3-[4-keto-4-[4-(2-pyrimidyl)piperazino]butyl]-1H-quinazoline-2,4-quinone Formula: C20H21BrN6O3 MolecularWeight: 473.32314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrN6O3/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)