2-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one

Systemtic Name: 2-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one Openeye Name: 2-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one CAS Name: 2-[(2-methyl-3-nitrophenyl)methylthio]-6-propyl-1H-pyrimidin-4-one IUPAC Name: 2-[(2-methyl-3-nitrophenyl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one Traditional Name: 2-[(2-methyl-3-nitro-benzyl)thio]-6-propyl-1H-pyrimidin-4-one Formula: C15H17N3O3S MolecularWeight: 319.37878

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC2=C(C(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC2=C(C(=CC=C2)[N+](=O)[O-])C

InChI

InChI=1S/C15H17N3O3S/c1-3-5-12-8-14(19)17-15(16-12)22-9-11-6-4-7-13(10(11)2)18(20)21/h4,6-8H,3,5,9H2,1-2H3,(H,16,17,19)