ethyl 4-[(2-cyanophenyl)methylsulfanyl]-2-(furan-2-yl)-6-methyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[(2-cyanophenyl)methylsulfanyl]-2-(furan-2-yl)-6-methyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[(2-cyanophenyl)methylsulfanyl]-2-(2-furyl)-6-methyl-pyrimidine-5-carboxylate CAS Name: 4-[(2-cyanophenyl)methylthio]-2-(2-furanyl)-6-methyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2-cyanophenyl)methylsulfanyl]-2-(furan-2-yl)-6-methylpyrimidine-5-carboxylate Traditional Name: 4-[(2-cyanobenzyl)thio]-2-(2-furyl)-6-methyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H17N3O3S MolecularWeight: 379.43228

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=C1SCC2=CC=CC=C2C#N)C3=CC=CO3)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1SCC2=CC=CC=C2C#N)C3=CC=CO3)C

InChI

InChI=1S/C20H17N3O3S/c1-3-25-20(24)17-13(2)22-18(16-9-6-10-26-16)23-19(17)27-12-15-8-5-4-7-14(15)11-21/h4-10H,3,12H2,1-2H3