8-butyl-2-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-5,7-dimethoxy-1H-quinazolin-4-one

Systemtic Name: 8-butyl-2-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-5,7-dimethoxy-1H-quinazolin-4-one Openeye Name: 8-butyl-2-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-5,7-dimethoxy-1H-quinazolin-4-one CAS Name: 8-butyl-2-[2-ethoxy-5-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-5,7-dimethoxy-1H-quinazolin-4-one IUPAC Name: 8-butyl-2-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-5,7-dimethoxy-1H-quinazolin-4-one Traditional Name: 8-butyl-2-[2-ethoxy-5-(4-methylpiperazino)sulfonyl-phenyl]-5,7-dimethoxy-1H-quinazolin-4-one Formula: C27H36N4O6S MolecularWeight: 544.66294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=C(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC)OC)OC

Isomeric SMILES

CCCCC1=C(C=C(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC)OC)OC

InChI

InChI=1S/C27H36N4O6S/c1-6-8-9-19-22(35-4)17-23(36-5)24-25(19)28-26(29-27(24)32)20-16-18(10-11-21(20)37-7-2)38(33,34)31-14-12-30(3)13-15-31/h10-11,16-17H,6-9,12-15H2,1-5H3,(H,28,29,32)