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

Systemtic Name: 2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-3,5,6-trimethyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-3,5,6-trimethyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(2-methoxy-5-nitrophenyl)methylthio]-3,5,6-trimethyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-3,5,6-trimethylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(2-methoxy-5-nitro-benzyl)thio]-3,5,6-trimethyl-thieno[2,3-d]pyrimidin-4-one Formula: C17H17N3O4S2 MolecularWeight: 391.46458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=C(C=CC(=C3)[N+](=O)[O-])OC)C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=C(C=CC(=C3)[N+](=O)[O-])OC)C)C

InChI

InChI=1S/C17H17N3O4S2/c1-9-10(2)26-15-14(9)16(21)19(3)17(18-15)25-8-11-7-12(20(22)23)5-6-13(11)24-4/h5-7H,8H2,1-4H3