2-(5-chloranyl-3-nitro-2-oxidanyl-phenyl)-5,6-dimethyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-(5-chloranyl-3-nitro-2-oxidanyl-phenyl)-5,6-dimethyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-(5-chloro-2-hydroxy-3-nitro-phenyl)-5,6-dimethyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-(5-chloro-2-hydroxy-3-nitrophenyl)-5,6-dimethyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-(5-chloro-2-hydroxy-3-nitrophenyl)-5,6-dimethyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-(5-chloro-2-hydroxy-3-nitro-phenyl)-5,6-dimethyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one Formula: C14H12ClN3O4S MolecularWeight: 353.78078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(N2)C3=CC(=CC(=C3O)[N+](=O)[O-])Cl)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(N2)C3=CC(=CC(=C3O)[N+](=O)[O-])Cl)C

InChI

InChI=1S/C14H12ClN3O4S/c1-5-6(2)23-14-10(5)13(20)16-12(17-14)8-3-7(15)4-9(11(8)19)18(21)22/h3-4,12,17,19H,1-2H3,(H,16,20)