3-[3-[4-(4-methylpiperidin-1-yl)pyrimidin-2-yl]sulfanylpropyl]-1H-benzimidazol-2-one

Systemtic Name: 3-[3-[4-(4-methylpiperidin-1-yl)pyrimidin-2-yl]sulfanylpropyl]-1H-benzimidazol-2-one Openeye Name: 3-[3-[4-(4-methyl-1-piperidyl)pyrimidin-2-yl]sulfanylpropyl]-1H-benzimidazol-2-one CAS Name: 3-[3-[[4-(4-methyl-1-piperidinyl)-2-pyrimidinyl]thio]propyl]-1H-benzimidazol-2-one IUPAC Name: 3-[3-[4-(4-methylpiperidin-1-yl)pyrimidin-2-yl]sulfanylpropyl]-1H-benzimidazol-2-one Traditional Name: 3-[3-[[4-(4-methylpiperidino)pyrimidin-2-yl]thio]propyl]-1H-benzimidazol-2-one Formula: C20H25N5OS MolecularWeight: 383.5104

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=NC(=NC=C2)SCCCN3C4=CC=CC=C4NC3=O

Isomeric SMILES

CC1CCN(CC1)C2=NC(=NC=C2)SCCCN3C4=CC=CC=C4NC3=O

InChI

InChI=1S/C20H25N5OS/c1-15-8-12-24(13-9-15)18-7-10-21-19(23-18)27-14-4-11-25-17-6-3-2-5-16(17)22-20(25)26/h2-3,5-7,10,15H,4,8-9,11-14H2,1H3,(H,22,26)