2-(5-nitropyridin-2-yl)sulfanyl-6-propyl-1H-pyrimidin-4-one

Systemtic Name: 2-(5-nitropyridin-2-yl)sulfanyl-6-propyl-1H-pyrimidin-4-one Openeye Name: 2-[(5-nitro-2-pyridyl)sulfanyl]-6-propyl-1H-pyrimidin-4-one CAS Name: 2-[(5-nitro-2-pyridinyl)thio]-6-propyl-1H-pyrimidin-4-one IUPAC Name: 2-(5-nitropyridin-2-yl)sulfanyl-6-propyl-1H-pyrimidin-4-one Traditional Name: 2-[(5-nitro-2-pyridyl)thio]-6-propyl-1H-pyrimidin-4-one Formula: C12H12N4O3S MolecularWeight: 292.31368

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SC2=NC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SC2=NC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H12N4O3S/c1-2-3-8-6-10(17)15-12(14-8)20-11-5-4-9(7-13-11)16(18)19/h4-7H,2-3H2,1H3,(H,14,15,17)