[2-bromanyl-4-[(E)-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]-6-ethoxy-phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-bromanyl-4-[(E)-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]-6-ethoxy-phenyl] 4-methylbenzenesulfonate Openeye Name: [2-bromo-4-[(E)-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hydrazono]methyl]-6-ethoxy-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(E)-[[2,6-bis(1-pyrrolidinyl)-4-pyrimidinyl]hydrazinylidene]methyl]-2-bromo-6-ethoxyphenyl] ester IUPAC Name: [2-bromo-4-[(E)-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]-6-ethoxyphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-bromo-4-[(E)-[(2,6-dipyrrolidinopyrimidin-4-yl)hydrazono]methyl]-6-ethoxy-phenyl] ester Formula: C28H33BrN6O4S MolecularWeight: 629.56842

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=NNC2=NC(=NC(=C2)N3CCCC3)N4CCCC4)Br)OS(=O)(=O)C5=CC=C(C=C5)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=N/NC2=NC(=NC(=C2)N3CCCC3)N4CCCC4)Br)OS(=O)(=O)C5=CC=C(C=C5)C

InChI

InChI=1S/C28H33BrN6O4S/c1-3-38-24-17-21(16-23(29)27(24)39-40(36,37)22-10-8-20(2)9-11-22)19-30-33-25-18-26(34-12-4-5-13-34)32-28(31-25)35-14-6-7-15-35/h8-11,16-19H,3-7,12-15H2,1-2H3,(H,31,32,33)/b30-19+