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

Systemtic Name: 5-[[4-[cyclohexyl(methyl)amino]-6-methyl-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: 5-[[4-[cyclohexyl(methyl)amino]-6-methyl-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[4-[cyclohexyl(methyl)amino]-6-methyl-2-pyrimidinyl]thio]methyl]-2-furancarboxylate IUPAC Name: 5-[[4-[cyclohexyl(methyl)amino]-6-methylpyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[[4-[cyclohexyl(methyl)amino]-6-methyl-pyrimidin-2-yl]thio]methyl]-2-furoate Formula: C18H22N3O3S- MolecularWeight: 360.45058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)[O-])N(C)C3CCCCC3

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)[O-])N(C)C3CCCCC3

InChI

InChI=1S/C18H23N3O3S/c1-12-10-16(21(2)13-6-4-3-5-7-13)20-18(19-12)25-11-14-8-9-15(24-14)17(22)23/h8-10,13H,3-7,11H2,1-2H3,(H,22,23)/p-1