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

Systemtic Name: 5,6-dimethyl-2-[(2-methyl-5-nitro-phenyl)methylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 5,6-dimethyl-2-[(2-methyl-5-nitro-phenyl)methylsulfanyl]-1H-pyrimidin-4-one CAS Name: 5,6-dimethyl-2-[(2-methyl-5-nitrophenyl)methylthio]-1H-pyrimidin-4-one IUPAC Name: 5,6-dimethyl-2-[(2-methyl-5-nitrophenyl)methylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 5,6-dimethyl-2-[(2-methyl-5-nitro-benzyl)thio]-1H-pyrimidin-4-one Formula: C14H15N3O3S MolecularWeight: 305.3522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O3S/c1-8-4-5-12(17(19)20)6-11(8)7-21-14-15-10(3)9(2)13(18)16-14/h4-6H,7H2,1-3H3,(H,15,16,18)