3-[[2-(benzimidazol-1-yl)-6-methylsulfanyl-pyrimidin-4-yl]amino]-N-(3-methoxypropyl)-5-methyl-hexanamide

Systemtic Name: 3-[[2-(benzimidazol-1-yl)-6-methylsulfanyl-pyrimidin-4-yl]amino]-N-(3-methoxypropyl)-5-methyl-hexanamide Openeye Name: 3-[[2-(benzimidazol-1-yl)-6-methylsulfanyl-pyrimidin-4-yl]amino]-N-(3-methoxypropyl)-5-methyl-hexanamide CAS Name: 3-[[2-(1-benzimidazolyl)-6-(methylthio)-4-pyrimidinyl]amino]-N-(3-methoxypropyl)-5-methylhexanamide IUPAC Name: 3-[[2-(benzimidazol-1-yl)-6-methylsulfanylpyrimidin-4-yl]amino]-N-(3-methoxypropyl)-5-methylhexanamide Traditional Name: 3-[[2-(benzimidazol-1-yl)-6-(methylthio)pyrimidin-4-yl]amino]-N-(3-methoxypropyl)-5-methyl-hexanamide Formula: C23H32N6O2S MolecularWeight: 456.60418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC(=O)NCCCOC)NC1=CC(=NC(=N1)N2C=NC3=CC=CC=C32)SC

Isomeric SMILES

CC(C)CC(CC(=O)NCCCOC)NC1=CC(=NC(=N1)N2C=NC3=CC=CC=C32)SC

InChI

InChI=1S/C23H32N6O2S/c1-16(2)12-17(13-21(30)24-10-7-11-31-3)26-20-14-22(32-4)28-23(27-20)29-15-25-18-8-5-6-9-19(18)29/h5-6,8-9,14-17H,7,10-13H2,1-4H3,(H,24,30)(H,26,27,28)