2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-6-propyl-pyrimidin-4-olate Openeye Name: 2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-6-propyl-pyrimidin-4-olate CAS Name: 2-[(2-methoxy-5-nitrophenyl)methylthio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-6-propylpyrimidin-4-olate Traditional Name: 2-[(2-methoxy-5-nitro-benzyl)thio]-6-propyl-pyrimidin-4-olate Formula: C15H16N3O4S- MolecularWeight: 334.37024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O4S/c1-3-4-11-8-14(19)17-15(16-11)23-9-10-7-12(18(20)21)5-6-13(10)22-2/h5-8H,3-4,9H2,1-2H3,(H,16,17,19)/p-1