2-butylsulfanyl-5-[(4-methoxy-3-nitro-phenyl)methyl]-6-methyl-1H-pyrimidin-4-one

Systemtic Name: 2-butylsulfanyl-5-[(4-methoxy-3-nitro-phenyl)methyl]-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-butylsulfanyl-5-[(4-methoxy-3-nitro-phenyl)methyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 2-(butylthio)-5-[(4-methoxy-3-nitrophenyl)methyl]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-butylsulfanyl-5-[(4-methoxy-3-nitrophenyl)methyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-(butylthio)-5-(4-methoxy-3-nitro-benzyl)-6-methyl-1H-pyrimidin-4-one Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC(=O)C(=C(N1)C)CC2=CC(=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CCCCSC1=NC(=O)C(=C(N1)C)CC2=CC(=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O4S/c1-4-5-8-25-17-18-11(2)13(16(21)19-17)9-12-6-7-15(24-3)14(10-12)20(22)23/h6-7,10H,4-5,8-9H2,1-3H3,(H,18,19,21)