methyl 5-[[1,4-dimethyl-5-[(3-methylphenyl)methyl]-6-oxidanylidene-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[1,4-dimethyl-5-[(3-methylphenyl)methyl]-6-oxidanylidene-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[[1,4-dimethyl-5-(m-tolylmethyl)-6-oxo-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[1,4-dimethyl-5-[(3-methylphenyl)methyl]-6-oxo-2-pyrimidinyl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[1,4-dimethyl-5-[(3-methylphenyl)methyl]-6-oxopyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[[6-keto-1,4-dimethyl-5-(3-methylbenzyl)pyrimidin-2-yl]thio]methyl]furan-2-carboxylic acid methyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC2=C(N=C(N(C2=O)C)SCC3=CC=C(O3)C(=O)OC)C

Isomeric SMILES

CC1=CC(=CC=C1)CC2=C(N=C(N(C2=O)C)SCC3=CC=C(O3)C(=O)OC)C

InChI

InChI=1S/C21H22N2O4S/c1-13-6-5-7-15(10-13)11-17-14(2)22-21(23(3)19(17)24)28-12-16-8-9-18(27-16)20(25)26-4/h5-10H,11-12H2,1-4H3