2-[(4-chlorophenyl)methylsulfanyl]-4-oxidanyl-5-[(4-prop-2-enoxyphenyl)methyl]-1H-pyrimidin-6-one

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-4-oxidanyl-5-[(4-prop-2-enoxyphenyl)methyl]-1H-pyrimidin-6-one Openeye Name: 5-[(4-allyloxyphenyl)methyl]-2-[(4-chlorophenyl)methylsulfanyl]-4-hydroxy-1H-pyrimidin-6-one CAS Name: 2-[(4-chlorophenyl)methylthio]-4-hydroxy-5-[(4-prop-2-enoxyphenyl)methyl]-1H-pyrimidin-6-one IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-4-hydroxy-5-[(4-prop-2-enoxyphenyl)methyl]-1H-pyrimidin-6-one Traditional Name: 5-(4-allyloxybenzyl)-2-[(4-chlorobenzyl)thio]-4-hydroxy-1H-pyrimidin-6-one Formula: C21H19ClN2O3S MolecularWeight: 414.90516

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=C(C=C1)CC2=C(N=C(NC2=O)SCC3=CC=C(C=C3)Cl)O

Isomeric SMILES

C=CCOC1=CC=C(C=C1)CC2=C(N=C(NC2=O)SCC3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C21H19ClN2O3S/c1-2-11-27-17-9-5-14(6-10-17)12-18-19(25)23-21(24-20(18)26)28-13-15-3-7-16(22)8-4-15/h2-10H,1,11-13H2,(H2,23,24,25,26)