1,3-dimethyl-5-[[4-[(3-pyrimidin-2-ylsulfanylpropylamino)methyl]phenoxy]methyl]benzimidazol-2-one

Systemtic Name: 1,3-dimethyl-5-[[4-[(3-pyrimidin-2-ylsulfanylpropylamino)methyl]phenoxy]methyl]benzimidazol-2-one Openeye Name: 1,3-dimethyl-5-[[4-[(3-pyrimidin-2-ylsulfanylpropylamino)methyl]phenoxy]methyl]benzimidazol-2-one CAS Name: 1,3-dimethyl-5-[[4-[[3-(2-pyrimidinylthio)propylamino]methyl]phenoxy]methyl]-2-benzimidazolone IUPAC Name: 1,3-dimethyl-5-[[4-[(3-pyrimidin-2-ylsulfanylpropylamino)methyl]phenoxy]methyl]benzimidazol-2-one Traditional Name: 1,3-dimethyl-5-[[4-[[3-(2-pyrimidylthio)propylamino]methyl]phenoxy]methyl]benzimidazol-2-one Formula: C24H27N5O2S MolecularWeight: 449.56848

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)COC3=CC=C(C=C3)CNCCCSC4=NC=CC=N4)N(C1=O)C

Isomeric SMILES

CN1C2=C(C=C(C=C2)COC3=CC=C(C=C3)CNCCCSC4=NC=CC=N4)N(C1=O)C

InChI

InChI=1S/C24H27N5O2S/c1-28-21-10-7-19(15-22(21)29(2)24(28)30)17-31-20-8-5-18(6-9-20)16-25-11-4-14-32-23-26-12-3-13-27-23/h3,5-10,12-13,15,25H,4,11,14,16-17H2,1-2H3