ethyl 4-(4-chlorophenyl)-6-(diphenylphosphorylmethyl)-1,3-dimethyl-2-sulfanylidene-4H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(4-chlorophenyl)-6-(diphenylphosphorylmethyl)-1,3-dimethyl-2-sulfanylidene-4H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-chlorophenyl)-6-(diphenylphosphorylmethyl)-1,3-dimethyl-2-thioxo-4H-pyrimidine-5-carboxylate CAS Name: 4-(4-chlorophenyl)-6-(diphenylphosphorylmethyl)-1,3-dimethyl-2-sulfanylidene-4H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chlorophenyl)-6-(diphenylphosphorylmethyl)-1,3-dimethyl-2-sulfanylidene-4H-pyrimidine-5-carboxylate Traditional Name: 4-(4-chlorophenyl)-6-(diphenylphosphorylmethyl)-1,3-dimethyl-2-thioxo-4H-pyrimidine-5-carboxylic acid ethyl ester Formula: C28H28ClN2O3PS MolecularWeight: 539.025281

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)N(C1C2=CC=C(C=C2)Cl)C)C)CP(=O)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)N(C1C2=CC=C(C=C2)Cl)C)C)CP(=O)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H28ClN2O3PS/c1-4-34-27(32)25-24(30(2)28(36)31(3)26(25)20-15-17-21(29)18-16-20)19-35(33,22-11-7-5-8-12-22)23-13-9-6-10-14-23/h5-18,26H,4,19H2,1-3H3