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

Systemtic Name: 2-[(2-methyl-5-nitro-phenyl)methylsulfanyl]-4-oxidanyl-5-(phenylmethyl)-1H-pyrimidin-6-one Openeye Name: 5-benzyl-4-hydroxy-2-[(2-methyl-5-nitro-phenyl)methylsulfanyl]-1H-pyrimidin-6-one CAS Name: 4-hydroxy-2-[(2-methyl-5-nitrophenyl)methylthio]-5-(phenylmethyl)-1H-pyrimidin-6-one IUPAC Name: 5-benzyl-4-hydroxy-2-[(2-methyl-5-nitrophenyl)methylsulfanyl]-1H-pyrimidin-6-one Traditional Name: 5-benzyl-4-hydroxy-2-[(2-methyl-5-nitro-benzyl)thio]-1H-pyrimidin-6-one Formula: C19H17N3O4S MolecularWeight: 383.42098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NC(=C(C(=O)N2)CC3=CC=CC=C3)O

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NC(=C(C(=O)N2)CC3=CC=CC=C3)O

InChI

InChI=1S/C19H17N3O4S/c1-12-7-8-15(22(25)26)10-14(12)11-27-19-20-17(23)16(18(24)21-19)9-13-5-3-2-4-6-13/h2-8,10H,9,11H2,1H3,(H2,20,21,23,24)