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

Systemtic Name: 2-[(4-nitrophenyl)methylsulfanyl]-4-oxidanyl-5-[(4-prop-2-enoxyphenyl)methyl]-1H-pyrimidin-6-one Openeye Name: 5-[(4-allyloxyphenyl)methyl]-4-hydroxy-2-[(4-nitrophenyl)methylsulfanyl]-1H-pyrimidin-6-one CAS Name: 4-hydroxy-2-[(4-nitrophenyl)methylthio]-5-[(4-prop-2-enoxyphenyl)methyl]-1H-pyrimidin-6-one IUPAC Name: 4-hydroxy-2-[(4-nitrophenyl)methylsulfanyl]-5-[(4-prop-2-enoxyphenyl)methyl]-1H-pyrimidin-6-one Traditional Name: 5-(4-allyloxybenzyl)-4-hydroxy-2-[(4-nitrobenzyl)thio]-1H-pyrimidin-6-one Formula: C21H19N3O5S MolecularWeight: 425.45766

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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)[N+](=O)[O-])O

Isomeric SMILES

C=CCOC1=CC=C(C=C1)CC2=C(N=C(NC2=O)SCC3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C21H19N3O5S/c1-2-11-29-17-9-5-14(6-10-17)12-18-19(25)22-21(23-20(18)26)30-13-15-3-7-16(8-4-15)24(27)28/h2-10H,1,11-13H2,(H2,22,23,25,26)