8-bromanyl-2-(5-morpholin-4-ylsulfonyl-2-propoxy-phenyl)-1H-quinazolin-4-one

Systemtic Name: 8-bromanyl-2-(5-morpholin-4-ylsulfonyl-2-propoxy-phenyl)-1H-quinazolin-4-one Openeye Name: 8-bromo-2-(5-morpholinosulfonyl-2-propoxy-phenyl)-1H-quinazolin-4-one CAS Name: 8-bromo-2-[5-(4-morpholinylsulfonyl)-2-propoxyphenyl]-1H-quinazolin-4-one IUPAC Name: 8-bromo-2-(5-morpholin-4-ylsulfonyl-2-propoxyphenyl)-1H-quinazolin-4-one Traditional Name: 8-bromo-2-(5-morpholinosulfonyl-2-propoxy-phenyl)-1H-quinazolin-4-one Formula: C21H22BrN3O5S MolecularWeight: 508.38548

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C3=NC(=O)C4=C(N3)C(=CC=C4)Br

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C3=NC(=O)C4=C(N3)C(=CC=C4)Br

InChI

InChI=1S/C21H22BrN3O5S/c1-2-10-30-18-7-6-14(31(27,28)25-8-11-29-12-9-25)13-16(18)20-23-19-15(21(26)24-20)4-3-5-17(19)22/h3-7,13H,2,8-12H2,1H3,(H,23,24,26)