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

Systemtic Name: 2-[(4-nitrophenyl)methylsulfanyl]-4-oxidanyl-5-(phenylmethyl)-1H-pyrimidin-6-one Openeye Name: 5-benzyl-4-hydroxy-2-[(4-nitrophenyl)methylsulfanyl]-1H-pyrimidin-6-one CAS Name: 4-hydroxy-2-[(4-nitrophenyl)methylthio]-5-(phenylmethyl)-1H-pyrimidin-6-one IUPAC Name: 5-benzyl-4-hydroxy-2-[(4-nitrophenyl)methylsulfanyl]-1H-pyrimidin-6-one Traditional Name: 5-benzyl-4-hydroxy-2-[(4-nitrobenzyl)thio]-1H-pyrimidin-6-one Formula: C18H15N3O4S MolecularWeight: 369.3944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O4S/c22-16-15(10-12-4-2-1-3-5-12)17(23)20-18(19-16)26-11-13-6-8-14(9-7-13)21(24)25/h1-9H,10-11H2,(H2,19,20,22,23)