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

Systemtic Name: 5-[(2-methoxy-5-nitro-phenyl)methyl]-6-methyl-2-pentylsulfanyl-1H-pyrimidin-4-one Openeye Name: 5-[(2-methoxy-5-nitro-phenyl)methyl]-6-methyl-2-pentylsulfanyl-1H-pyrimidin-4-one CAS Name: 5-[(2-methoxy-5-nitrophenyl)methyl]-6-methyl-2-(pentylthio)-1H-pyrimidin-4-one IUPAC Name: 5-[(2-methoxy-5-nitrophenyl)methyl]-6-methyl-2-pentylsulfanyl-1H-pyrimidin-4-one Traditional Name: 2-(amylthio)-5-(2-methoxy-5-nitro-benzyl)-6-methyl-1H-pyrimidin-4-one Formula: C18H23N3O4S MolecularWeight: 377.45792

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC(=O)C(=C(N1)C)CC2=C(C=CC(=C2)[N+](=O)[O-])OC

Isomeric SMILES

CCCCCSC1=NC(=O)C(=C(N1)C)CC2=C(C=CC(=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C18H23N3O4S/c1-4-5-6-9-26-18-19-12(2)15(17(22)20-18)11-13-10-14(21(23)24)7-8-16(13)25-3/h7-8,10H,4-6,9,11H2,1-3H3,(H,19,20,22)