5-nitro-1-propyl-6-pyridin-4-ylsulfanyl-pyrimidine-2,4-dione

Systemtic Name: 5-nitro-1-propyl-6-pyridin-4-ylsulfanyl-pyrimidine-2,4-dione Openeye Name: 5-nitro-1-propyl-6-(4-pyridylsulfanyl)pyrimidine-2,4-dione CAS Name: 5-nitro-1-propyl-6-(pyridin-4-ylthio)pyrimidine-2,4-dione IUPAC Name: 5-nitro-1-propyl-6-pyridin-4-ylsulfanylpyrimidine-2,4-dione Traditional Name: 5-nitro-1-propyl-6-(4-pyridylthio)pyrimidine-2,4-quinone Formula: C12H12N4O4S MolecularWeight: 308.31308

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=O)NC1=O)[N+](=O)[O-])SC2=CC=NC=C2

Isomeric SMILES

CCCN1C(=C(C(=O)NC1=O)[N+](=O)[O-])SC2=CC=NC=C2

InChI

InChI=1S/C12H12N4O4S/c1-2-7-15-11(21-8-3-5-13-6-4-8)9(16(19)20)10(17)14-12(15)18/h3-6H,2,7H2,1H3,(H,14,17,18)