2-(1H-benzimidazol-2-ylmethylsulfanyl)-6-bromanyl-3-(3-ethoxypropyl)quinazolin-4-one

Systemtic Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-6-bromanyl-3-(3-ethoxypropyl)quinazolin-4-one Openeye Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-6-bromo-3-(3-ethoxypropyl)quinazolin-4-one CAS Name: 2-(1H-benzimidazol-2-ylmethylthio)-6-bromo-3-(3-ethoxypropyl)-4-quinazolinone IUPAC Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-6-bromo-3-(3-ethoxypropyl)quinazolin-4-one Traditional Name: 2-(1H-benzimidazol-2-ylmethylthio)-6-bromo-3-(3-ethoxypropyl)quinazolin-4-one Formula: C21H21BrN4O2S MolecularWeight: 473.38604

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC3=NC4=CC=CC=C4N3

Isomeric SMILES

CCOCCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H21BrN4O2S/c1-2-28-11-5-10-26-20(27)15-12-14(22)8-9-16(15)25-21(26)29-13-19-23-17-6-3-4-7-18(17)24-19/h3-4,6-9,12H,2,5,10-11,13H2,1H3,(H,23,24)