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

Systemtic Name: 6-bromanyl-3-[4-oxidanylidene-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 6-bromo-3-[4-oxo-4-[4-(2-pyridyl)piperazin-1-yl]butyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 6-bromo-3-[4-oxo-4-[4-(2-pyridinyl)-1-piperazinyl]butyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 6-bromo-3-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 6-bromo-3-[4-keto-4-[4-(2-pyridyl)piperazino]butyl]-2-thioxo-1H-quinazolin-4-one Formula: C21H22BrN5O2S MolecularWeight: 488.40068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22BrN5O2S/c22-15-6-7-17-16(14-15)20(29)27(21(30)24-17)9-3-5-19(28)26-12-10-25(11-13-26)18-4-1-2-8-23-18/h1-2,4,6-8,14H,3,5,9-13H2,(H,24,30)