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

Systemtic Name: 5-ethyl-6-methyl-2-[(2-methyl-5-nitro-phenyl)methylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 5-ethyl-6-methyl-2-[(2-methyl-5-nitro-phenyl)methylsulfanyl]-1H-pyrimidin-4-one CAS Name: 5-ethyl-6-methyl-2-[(2-methyl-5-nitrophenyl)methylthio]-1H-pyrimidin-4-one IUPAC Name: 5-ethyl-6-methyl-2-[(2-methyl-5-nitrophenyl)methylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 5-ethyl-6-methyl-2-[(2-methyl-5-nitro-benzyl)thio]-1H-pyrimidin-4-one Formula: C15H17N3O3S MolecularWeight: 319.37878

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=NC1=O)SCC2=C(C=CC(=C2)[N+](=O)[O-])C)C

Isomeric SMILES

CCC1=C(NC(=NC1=O)SCC2=C(C=CC(=C2)[N+](=O)[O-])C)C

InChI

InChI=1S/C15H17N3O3S/c1-4-13-10(3)16-15(17-14(13)19)22-8-11-7-12(18(20)21)6-5-9(11)2/h5-7H,4,8H2,1-3H3,(H,16,17,19)