2-methylsulfanyl-6-oxidanyl-1-phenyl-5-[(4-propoxyphenyl)methyl]pyrimidin-4-one

Systemtic Name: 2-methylsulfanyl-6-oxidanyl-1-phenyl-5-[(4-propoxyphenyl)methyl]pyrimidin-4-one Openeye Name: 6-hydroxy-2-methylsulfanyl-1-phenyl-5-[(4-propoxyphenyl)methyl]pyrimidin-4-one CAS Name: 6-hydroxy-2-(methylthio)-1-phenyl-5-[(4-propoxyphenyl)methyl]-4-pyrimidinone IUPAC Name: 6-hydroxy-2-methylsulfanyl-1-phenyl-5-[(4-propoxyphenyl)methyl]pyrimidin-4-one Traditional Name: 6-hydroxy-2-(methylthio)-1-phenyl-5-(4-propoxybenzyl)pyrimidin-4-one Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)CC2=C(N(C(=NC2=O)SC)C3=CC=CC=C3)O

Isomeric SMILES

CCCOC1=CC=C(C=C1)CC2=C(N(C(=NC2=O)SC)C3=CC=CC=C3)O

InChI

InChI=1S/C21H22N2O3S/c1-3-13-26-17-11-9-15(10-12-17)14-18-19(24)22-21(27-2)23(20(18)25)16-7-5-4-6-8-16/h4-12,25H,3,13-14H2,1-2H3