8-bromanyl-2-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-7-methoxy-5-oxidanyl-1H-quinazolin-4-one

Systemtic Name: 8-bromanyl-2-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-7-methoxy-5-oxidanyl-1H-quinazolin-4-one Openeye Name: 8-bromo-2-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-5-hydroxy-7-methoxy-1H-quinazolin-4-one CAS Name: 8-bromo-2-[2-ethoxy-5-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-5-hydroxy-7-methoxy-1H-quinazolin-4-one IUPAC Name: 8-bromo-2-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-5-hydroxy-7-methoxy-1H-quinazolin-4-one Traditional Name: 8-bromo-2-[2-ethoxy-5-(4-methylpiperazino)sulfonyl-phenyl]-5-hydroxy-7-methoxy-1H-quinazolin-4-one Formula: C22H25BrN4O6S MolecularWeight: 553.4261

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C)C3=NC(=O)C4=C(N3)C(=C(C=C4O)OC)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C)C3=NC(=O)C4=C(N3)C(=C(C=C4O)OC)Br

InChI

InChI=1S/C22H25BrN4O6S/c1-4-33-16-6-5-13(34(30,31)27-9-7-26(2)8-10-27)11-14(16)21-24-20-18(22(29)25-21)15(28)12-17(32-3)19(20)23/h5-6,11-12,28H,4,7-10H2,1-3H3,(H,24,25,29)