2-[(4-nitrophenyl)methylsulfanyl]-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[(4-nitrophenyl)methylsulfanyl]-6-propyl-pyrimidin-4-olate Openeye Name: 2-[(4-nitrophenyl)methylsulfanyl]-6-propyl-pyrimidin-4-olate CAS Name: 2-[(4-nitrophenyl)methylthio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[(4-nitrophenyl)methylsulfanyl]-6-propylpyrimidin-4-olate Traditional Name: 2-[(4-nitrobenzyl)thio]-6-propyl-pyrimidin-4-olate Formula: C14H14N3O3S- MolecularWeight: 304.34426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O3S/c1-2-3-11-8-13(18)16-14(15-11)21-9-10-4-6-12(7-5-10)17(19)20/h4-8H,2-3,9H2,1H3,(H,15,16,18)/p-1