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

Systemtic Name: 3-ethyl-5,6-dimethyl-2-[(2-methyl-3-nitro-phenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-ethyl-5,6-dimethyl-2-[(2-methyl-3-nitro-phenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 3-ethyl-5,6-dimethyl-2-[(2-methyl-3-nitrophenyl)methylthio]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-ethyl-5,6-dimethyl-2-[(2-methyl-3-nitrophenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-ethyl-5,6-dimethyl-2-[(2-methyl-3-nitro-benzyl)thio]thieno[2,3-d]pyrimidin-4-one Formula: C18H19N3O3S2 MolecularWeight: 389.49176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O3S2/c1-5-20-17(22)15-10(2)12(4)26-16(15)19-18(20)25-9-13-7-6-8-14(11(13)3)21(23)24/h6-8H,5,9H2,1-4H3