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

Systemtic Name: 2-(3-ethoxy-5-nitro-2-oxidanyl-phenyl)-5,6-dimethyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-(3-ethoxy-2-hydroxy-5-nitro-phenyl)-5,6-dimethyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-(3-ethoxy-2-hydroxy-5-nitrophenyl)-5,6-dimethyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-(3-ethoxy-2-hydroxy-5-nitrophenyl)-5,6-dimethyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-(3-ethoxy-2-hydroxy-5-nitro-phenyl)-5,6-dimethyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one Formula: C16H17N3O5S MolecularWeight: 363.38828

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)[N+](=O)[O-])C2NC3=C(C(=C(S3)C)C)C(=O)N2)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)[N+](=O)[O-])C2NC3=C(C(=C(S3)C)C)C(=O)N2)O

InChI

InChI=1S/C16H17N3O5S/c1-4-24-11-6-9(19(22)23)5-10(13(11)20)14-17-15(21)12-7(2)8(3)25-16(12)18-14/h5-6,14,18,20H,4H2,1-3H3,(H,17,21)