[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl 2-(furan-2-yl)-4-methyl-6-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: [5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl 2-(furan-2-yl)-4-methyl-6-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: [5-(p-tolyl)-1,2,4-oxadiazol-3-yl]methyl 2-(2-furyl)-4-methyl-6-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 2-(2-furanyl)-4-methyl-6-(methylthio)-5-pyrimidinecarboxylic acid [5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl ester IUPAC Name: [5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl 2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 2-(2-furyl)-4-methyl-6-(methylthio)pyrimidine-5-carboxylic acid [5-(p-tolyl)-1,2,4-oxadiazol-3-yl]methyl ester Formula: C21H18N4O4S MolecularWeight: 422.45702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NO2)COC(=O)C3=C(N=C(N=C3SC)C4=CC=CO4)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NO2)COC(=O)C3=C(N=C(N=C3SC)C4=CC=CO4)C

InChI

InChI=1S/C21H18N4O4S/c1-12-6-8-14(9-7-12)19-23-16(25-29-19)11-28-21(26)17-13(2)22-18(24-20(17)30-3)15-5-4-10-27-15/h4-10H,11H2,1-3H3