2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-4-methyl-pyrimidine

Systemtic Name: 2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-4-methyl-pyrimidine Openeye Name: 2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-4-methyl-pyrimidine CAS Name: 2-[(4-methoxy-3-nitrophenyl)methylthio]-4-methylpyrimidine IUPAC Name: 2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-4-methylpyrimidine Traditional Name: 2-[(4-methoxy-3-nitro-benzyl)thio]-4-methyl-pyrimidine Formula: C13H13N3O3S MolecularWeight: 291.32562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)SCC2=CC(=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=NC=C1)SCC2=CC(=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O3S/c1-9-5-6-14-13(15-9)20-8-10-3-4-12(19-2)11(7-10)16(17)18/h3-7H,8H2,1-2H3