2-[(2-ethoxy-5-nitro-phenyl)methylsulfanyl]-6-methyl-5-(3-methylbutyl)-1H-pyrimidin-4-one

Systemtic Name: 2-[(2-ethoxy-5-nitro-phenyl)methylsulfanyl]-6-methyl-5-(3-methylbutyl)-1H-pyrimidin-4-one Openeye Name: 2-[(2-ethoxy-5-nitro-phenyl)methylsulfanyl]-5-isopentyl-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[(2-ethoxy-5-nitrophenyl)methylthio]-6-methyl-5-(3-methylbutyl)-1H-pyrimidin-4-one IUPAC Name: 2-[(2-ethoxy-5-nitrophenyl)methylsulfanyl]-6-methyl-5-(3-methylbutyl)-1H-pyrimidin-4-one Traditional Name: 2-[(2-ethoxy-5-nitro-benzyl)thio]-5-isoamyl-6-methyl-1H-pyrimidin-4-one Formula: C19H25N3O4S MolecularWeight: 391.4845

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NC(=O)C(=C(N2)C)CCC(C)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NC(=O)C(=C(N2)C)CCC(C)C

InChI

InChI=1S/C19H25N3O4S/c1-5-26-17-9-7-15(22(24)25)10-14(17)11-27-19-20-13(4)16(18(23)21-19)8-6-12(2)3/h7,9-10,12H,5-6,8,11H2,1-4H3,(H,20,21,23)