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

Systemtic Name: 5-[(4-ethylphenyl)methyl]-2-[(4-nitrophenyl)methylsulfanyl]-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 5-[(4-ethylphenyl)methyl]-4-hydroxy-2-[(4-nitrophenyl)methylsulfanyl]-1H-pyrimidin-6-one CAS Name: 5-[(4-ethylphenyl)methyl]-4-hydroxy-2-[(4-nitrophenyl)methylthio]-1H-pyrimidin-6-one IUPAC Name: 5-[(4-ethylphenyl)methyl]-4-hydroxy-2-[(4-nitrophenyl)methylsulfanyl]-1H-pyrimidin-6-one Traditional Name: 5-(4-ethylbenzyl)-4-hydroxy-2-[(4-nitrobenzyl)thio]-1H-pyrimidin-6-one Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CC2=C(N=C(NC2=O)SCC3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

CCC1=CC=C(C=C1)CC2=C(N=C(NC2=O)SCC3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C20H19N3O4S/c1-2-13-3-5-14(6-4-13)11-17-18(24)21-20(22-19(17)25)28-12-15-7-9-16(10-8-15)23(26)27/h3-10H,2,11-12H2,1H3,(H2,21,22,24,25)