methyl 4-[(6-oxidanylidene-2-phenethylsulfanyl-4-phenyl-pyrimidin-1-yl)methyl]benzoate

Systemtic Name: methyl 4-[(6-oxidanylidene-2-phenethylsulfanyl-4-phenyl-pyrimidin-1-yl)methyl]benzoate Openeye Name: methyl 4-[(6-oxo-2-phenethylsulfanyl-4-phenyl-pyrimidin-1-yl)methyl]benzoate CAS Name: 4-[[6-oxo-2-(phenethylthio)-4-phenyl-1-pyrimidinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(6-oxo-2-phenethylsulfanyl-4-phenylpyrimidin-1-yl)methyl]benzoate Traditional Name: 4-[[6-keto-2-(phenethylthio)-4-phenyl-pyrimidin-1-yl]methyl]benzoic acid methyl ester Formula: C27H24N2O3S MolecularWeight: 456.55606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2C(=O)C=C(N=C2SCCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2C(=O)C=C(N=C2SCCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H24N2O3S/c1-32-26(31)23-14-12-21(13-15-23)19-29-25(30)18-24(22-10-6-3-7-11-22)28-27(29)33-17-16-20-8-4-2-5-9-20/h2-15,18H,16-17,19H2,1H3