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

Systemtic Name: 5,6-dimethyl-2-[[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl]sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5,6-dimethyl-2-[[2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl]sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-2-[[[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]thio]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5,6-dimethyl-2-[[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[[2-keto-2-(4-methyl-3-nitro-phenyl)ethyl]thio]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C18H17N3O4S2 MolecularWeight: 403.47528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CSCC2=NC3=C(C(=C(S3)C)C)C(=O)N2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CSCC2=NC3=C(C(=C(S3)C)C)C(=O)N2)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O4S2/c1-9-4-5-12(6-13(9)21(24)25)14(22)7-26-8-15-19-17(23)16-10(2)11(3)27-18(16)20-15/h4-6H,7-8H2,1-3H3,(H,19,20,23)