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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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