3-ethyl-2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-ethyl-2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-ethyl-2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-ethyl-2-[(2-methoxy-5-nitrophenyl)methylthio]-5,6-dimethyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-ethyl-2-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-ethyl-2-[(2-methoxy-5-nitro-benzyl)thio]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one Formula: C18H19N3O4S2 MolecularWeight: 405.49116

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C1SCC3=C(C=CC(=C3)[N+](=O)[O-])OC)SC(=C2C)C

Isomeric SMILES

CCN1C(=O)C2=C(N=C1SCC3=C(C=CC(=C3)[N+](=O)[O-])OC)SC(=C2C)C

InChI

InChI=1S/C18H19N3O4S2/c1-5-20-17(22)15-10(2)11(3)27-16(15)19-18(20)26-9-12-8-13(21(23)24)6-7-14(12)25-4/h6-8H,5,9H2,1-4H3