methyl 5-[[1,4-dimethyl-6-oxidanylidene-5-(phenylmethyl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[1,4-dimethyl-6-oxidanylidene-5-(phenylmethyl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[(5-benzyl-1,4-dimethyl-6-oxo-pyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[1,4-dimethyl-6-oxo-5-(phenylmethyl)-2-pyrimidinyl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(5-benzyl-1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[(5-benzyl-6-keto-1,4-dimethyl-pyrimidin-2-yl)thio]methyl]furan-2-carboxylic acid methyl ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=N1)SCC2=CC=C(O2)C(=O)OC)C)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)N(C(=N1)SCC2=CC=C(O2)C(=O)OC)C)CC3=CC=CC=C3

InChI

InChI=1S/C20H20N2O4S/c1-13-16(11-14-7-5-4-6-8-14)18(23)22(2)20(21-13)27-12-15-9-10-17(26-15)19(24)25-3/h4-10H,11-12H2,1-3H3