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

Systemtic Name: ethyl 6-(diphenylphosphorylmethyl)-4-(4-methoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-(diphenylphosphorylmethyl)-4-(4-methoxyphenyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-(diphenylphosphorylmethyl)-4-(4-methoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(diphenylphosphorylmethyl)-4-(4-methoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-(diphenylphosphorylmethyl)-4-(4-methoxyphenyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C27H27N2O4PS MolecularWeight: 506.553041

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=S)NC1C2=CC=C(C=C2)OC)CP(=O)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(NC(=S)NC1C2=CC=C(C=C2)OC)CP(=O)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H27N2O4PS/c1-3-33-26(30)24-23(28-27(35)29-25(24)19-14-16-20(32-2)17-15-19)18-34(31,21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-17,25H,3,18H2,1-2H3,(H2,28,29,35)