6-bromanyl-3-(2-methoxyethyl)-2-(2-oxidanylideneazepan-3-yl)sulfanyl-quinazolin-4-one

Systemtic Name: 6-bromanyl-3-(2-methoxyethyl)-2-(2-oxidanylideneazepan-3-yl)sulfanyl-quinazolin-4-one Openeye Name: 6-bromo-3-(2-methoxyethyl)-2-(2-oxoazepan-3-yl)sulfanyl-quinazolin-4-one CAS Name: 6-bromo-3-(2-methoxyethyl)-2-[(2-oxo-3-azepanyl)thio]-4-quinazolinone IUPAC Name: 6-bromo-3-(2-methoxyethyl)-2-(2-oxoazepan-3-yl)sulfanylquinazolin-4-one Traditional Name: 6-bromo-2-[(2-ketoazepan-3-yl)thio]-3-(2-methoxyethyl)quinazolin-4-one Formula: C17H20BrN3O3S MolecularWeight: 426.328

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SC3CCCCNC3=O

Isomeric SMILES

COCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SC3CCCCNC3=O

InChI

InChI=1S/C17H20BrN3O3S/c1-24-9-8-21-16(23)12-10-11(18)5-6-13(12)20-17(21)25-14-4-2-3-7-19-15(14)22/h5-6,10,14H,2-4,7-9H2,1H3,(H,19,22)