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

Systemtic Name: 1,3-dimethyl-5-[(3-pyrimidin-2-ylsulfanylpropylamino)methyl]benzimidazol-2-one Openeye Name: 1,3-dimethyl-5-[(3-pyrimidin-2-ylsulfanylpropylamino)methyl]benzimidazol-2-one CAS Name: 1,3-dimethyl-5-[[3-(2-pyrimidinylthio)propylamino]methyl]-2-benzimidazolone IUPAC Name: 1,3-dimethyl-5-[(3-pyrimidin-2-ylsulfanylpropylamino)methyl]benzimidazol-2-one Traditional Name: 1,3-dimethyl-5-[[3-(2-pyrimidylthio)propylamino]methyl]benzimidazol-2-one Formula: C17H21N5OS MolecularWeight: 343.44654

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)CNCCCSC3=NC=CC=N3)N(C1=O)C

Isomeric SMILES

CN1C2=C(C=C(C=C2)CNCCCSC3=NC=CC=N3)N(C1=O)C

InChI

InChI=1S/C17H21N5OS/c1-21-14-6-5-13(11-15(14)22(2)17(21)23)12-18-7-4-10-24-16-19-8-3-9-20-16/h3,5-6,8-9,11,18H,4,7,10,12H2,1-2H3