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

Systemtic Name: 5,6-dimethyl-2-[(4-nitrophenyl)methylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 5,6-dimethyl-2-[(4-nitrophenyl)methylsulfanyl]-1H-pyrimidin-4-one CAS Name: 5,6-dimethyl-2-[(4-nitrophenyl)methylthio]-1H-pyrimidin-4-one IUPAC Name: 5,6-dimethyl-2-[(4-nitrophenyl)methylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 5,6-dimethyl-2-[(4-nitrobenzyl)thio]-1H-pyrimidin-4-one Formula: C13H13N3O3S MolecularWeight: 291.32562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=NC1=O)SCC2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(NC(=NC1=O)SCC2=CC=C(C=C2)[N+](=O)[O-])C

InChI

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