2-(6-chloranyl-3-nitro-pyridin-2-yl)sulfanyl-6-propyl-1H-pyrimidin-4-one

Systemtic Name: 2-(6-chloranyl-3-nitro-pyridin-2-yl)sulfanyl-6-propyl-1H-pyrimidin-4-one Openeye Name: 2-[(6-chloro-3-nitro-2-pyridyl)sulfanyl]-6-propyl-1H-pyrimidin-4-one CAS Name: 2-[(6-chloro-3-nitro-2-pyridinyl)thio]-6-propyl-1H-pyrimidin-4-one IUPAC Name: 2-(6-chloro-3-nitropyridin-2-yl)sulfanyl-6-propyl-1H-pyrimidin-4-one Traditional Name: 2-[(6-chloro-3-nitro-2-pyridyl)thio]-6-propyl-1H-pyrimidin-4-one Formula: C12H11ClN4O3S MolecularWeight: 326.75874

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SC2=C(C=CC(=N2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SC2=C(C=CC(=N2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C12H11ClN4O3S/c1-2-3-7-6-10(18)16-12(14-7)21-11-8(17(19)20)4-5-9(13)15-11/h4-6H,2-3H2,1H3,(H,14,16,18)