6-(3-nitrophenyl)-5-propyl-2-sulfanylidene-1H-pyrimidin-4-one

Systemtic Name: 6-(3-nitrophenyl)-5-propyl-2-sulfanylidene-1H-pyrimidin-4-one Openeye Name: 6-(3-nitrophenyl)-5-propyl-2-thioxo-1H-pyrimidin-4-one CAS Name: 6-(3-nitrophenyl)-5-propyl-2-sulfanylidene-1H-pyrimidin-4-one IUPAC Name: 6-(3-nitrophenyl)-5-propyl-2-sulfanylidene-1H-pyrimidin-4-one Traditional Name: 6-(3-nitrophenyl)-5-propyl-2-thioxo-1H-pyrimidin-4-one Formula: C13H13N3O3S MolecularWeight: 291.32562

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(NC(=S)NC1=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCC1=C(NC(=S)NC1=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O3S/c1-2-4-10-11(14-13(20)15-12(10)17)8-5-3-6-9(7-8)16(18)19/h3,5-7H,2,4H2,1H3,(H2,14,15,17,20)