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

Systemtic Name: 6-bromanyl-3-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylphenyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 6-bromo-3-[[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 6-bromo-3-[[4-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]phenyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 6-bromo-3-[[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 6-bromo-3-[4-[4-(2-pyrimidyl)piperazine-1-carbonyl]benzyl]-2-thioxo-1H-quinazolin-4-one Formula: C24H21BrN6O2S MolecularWeight: 537.43154

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC=C(C=C3)CN4C(=O)C5=C(C=CC(=C5)Br)NC4=S

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC=C(C=C3)CN4C(=O)C5=C(C=CC(=C5)Br)NC4=S

InChI

InChI=1S/C24H21BrN6O2S/c25-18-6-7-20-19(14-18)22(33)31(24(34)28-20)15-16-2-4-17(5-3-16)21(32)29-10-12-30(13-11-29)23-26-8-1-9-27-23/h1-9,14H,10-13,15H2,(H,28,34)