ethyl 4-(4-chlorophenyl)-6-[[1-(2,6-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(4-chlorophenyl)-6-[[1-(2,6-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-chlorophenyl)-6-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(4-chlorophenyl)-6-[[[1-(2,6-dimethylphenyl)-5-tetrazolyl]thio]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chlorophenyl)-6-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(4-chlorophenyl)-6-[[[1-(2,6-dimethylphenyl)tetrazol-5-yl]thio]methyl]-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C23H23ClN6O3S MolecularWeight: 498.98512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)Cl)CSC3=NN=NN3C4=C(C=CC=C4C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)Cl)CSC3=NN=NN3C4=C(C=CC=C4C)C

InChI

InChI=1S/C23H23ClN6O3S/c1-4-33-21(31)18-17(25-22(32)26-19(18)15-8-10-16(24)11-9-15)12-34-23-27-28-29-30(23)20-13(2)6-5-7-14(20)3/h5-11,19H,4,12H2,1-3H3,(H2,25,26,32)