2-[[6-(cyclohexyloxymethyl)-2-methylsulfanyl-pyrimidin-4-yl]amino]-N-(3-ethoxypropyl)-4-methyl-pentanamide

Systemtic Name: 2-[[6-(cyclohexyloxymethyl)-2-methylsulfanyl-pyrimidin-4-yl]amino]-N-(3-ethoxypropyl)-4-methyl-pentanamide Openeye Name: 2-[[6-(cyclohexoxymethyl)-2-methylsulfanyl-pyrimidin-4-yl]amino]-N-(3-ethoxypropyl)-4-methyl-pentanamide CAS Name: 2-[[6-(cyclohexyloxymethyl)-2-(methylthio)-4-pyrimidinyl]amino]-N-(3-ethoxypropyl)-4-methylpentanamide IUPAC Name: 2-[[6-(cyclohexyloxymethyl)-2-methylsulfanylpyrimidin-4-yl]amino]-N-(3-ethoxypropyl)-4-methylpentanamide Traditional Name: 2-[[6-(cyclohexoxymethyl)-2-(methylthio)pyrimidin-4-yl]amino]-N-(3-ethoxypropyl)-4-methyl-valeramide Formula: C23H40N4O3S MolecularWeight: 452.6537

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=O)C(CC(C)C)NC1=NC(=NC(=C1)COC2CCCCC2)SC

Isomeric SMILES

CCOCCCNC(=O)C(CC(C)C)NC1=NC(=NC(=C1)COC2CCCCC2)SC

InChI

InChI=1S/C23H40N4O3S/c1-5-29-13-9-12-24-22(28)20(14-17(2)3)26-21-15-18(25-23(27-21)31-4)16-30-19-10-7-6-8-11-19/h15,17,19-20H,5-14,16H2,1-4H3,(H,24,28)(H,25,26,27)