6-[(4-chlorophenyl)methyl]-5-ethyl-2-(phenylmethoxymethylsulfanyl)-1H-pyrimidin-4-one

Systemtic Name: 6-[(4-chlorophenyl)methyl]-5-ethyl-2-(phenylmethoxymethylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 2-(benzyloxymethylsulfanyl)-6-[(4-chlorophenyl)methyl]-5-ethyl-1H-pyrimidin-4-one CAS Name: 6-[(4-chlorophenyl)methyl]-5-ethyl-2-(phenylmethoxymethylthio)-1H-pyrimidin-4-one IUPAC Name: 6-[(4-chlorophenyl)methyl]-5-ethyl-2-(phenylmethoxymethylsulfanyl)-1H-pyrimidin-4-one Traditional Name: 2-(benzoxymethylthio)-6-(4-chlorobenzyl)-5-ethyl-1H-pyrimidin-4-one Formula: C21H21ClN2O2S MolecularWeight: 400.92164

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=NC1=O)SCOCC2=CC=CC=C2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CCC1=C(NC(=NC1=O)SCOCC2=CC=CC=C2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H21ClN2O2S/c1-2-18-19(12-15-8-10-17(22)11-9-15)23-21(24-20(18)25)27-14-26-13-16-6-4-3-5-7-16/h3-11H,2,12-14H2,1H3,(H,23,24,25)