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

Systemtic Name: 4-oxidanyl-2-(phenylmethylsulfanyl)-5-[(4-prop-2-enoxyphenyl)methyl]-1H-pyrimidin-6-one Openeye Name: 5-[(4-allyloxyphenyl)methyl]-2-benzylsulfanyl-4-hydroxy-1H-pyrimidin-6-one CAS Name: 4-hydroxy-2-(phenylmethylthio)-5-[(4-prop-2-enoxyphenyl)methyl]-1H-pyrimidin-6-one IUPAC Name: 2-benzylsulfanyl-4-hydroxy-5-[(4-prop-2-enoxyphenyl)methyl]-1H-pyrimidin-6-one Traditional Name: 5-(4-allyloxybenzyl)-2-(benzylthio)-4-hydroxy-1H-pyrimidin-6-one Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O3S/c1-2-12-26-17-10-8-15(9-11-17)13-18-19(24)22-21(23-20(18)25)27-14-16-6-4-3-5-7-16/h2-11H,1,12-14H2,(H2,22,23,24,25)