5-[[4-[cyclohexyl(methyl)amino]-6-(methoxymethyl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylate

Systemtic Name: 5-[[4-[cyclohexyl(methyl)amino]-6-(methoxymethyl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: 5-[[4-[cyclohexyl(methyl)amino]-6-(methoxymethyl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[4-[cyclohexyl(methyl)amino]-6-(methoxymethyl)-2-pyrimidinyl]thio]methyl]-2-furancarboxylate IUPAC Name: 5-[[4-[cyclohexyl(methyl)amino]-6-(methoxymethyl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[[4-[cyclohexyl(methyl)amino]-6-(methoxymethyl)pyrimidin-2-yl]thio]methyl]-2-furoate Formula: C19H24N3O4S- MolecularWeight: 390.47656

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C2=NC(=NC(=C2)COC)SCC3=CC=C(O3)C(=O)[O-]

Isomeric SMILES

CN(C1CCCCC1)C2=NC(=NC(=C2)COC)SCC3=CC=C(O3)C(=O)[O-]

InChI

InChI=1S/C19H25N3O4S/c1-22(14-6-4-3-5-7-14)17-10-13(11-25-2)20-19(21-17)27-12-15-8-9-16(26-15)18(23)24/h8-10,14H,3-7,11-12H2,1-2H3,(H,23,24)/p-1