2-[[6-(cyclohexyloxymethyl)-2-methylsulfanyl-pyrimidin-4-yl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[6-(cyclohexyloxymethyl)-2-methylsulfanyl-pyrimidin-4-yl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[6-(cyclohexoxymethyl)-2-methylsulfanyl-pyrimidin-4-yl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[6-(cyclohexyloxymethyl)-2-(methylthio)-4-pyrimidinyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[6-(cyclohexyloxymethyl)-2-methylsulfanylpyrimidin-4-yl]amino]-4-methylpentanoic acid Traditional Name: 2-[[6-(cyclohexoxymethyl)-2-(methylthio)pyrimidin-4-yl]amino]-4-methyl-valeric acid Formula: C18H29N3O3S MolecularWeight: 367.50616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3O3S/c1-12(2)9-15(17(22)23)20-16-10-13(19-18(21-16)25-3)11-24-14-7-5-4-6-8-14/h10,12,14-15H,4-9,11H2,1-3H3,(H,22,23)(H,19,20,21)