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

Systemtic Name: 5,6-dimethyl-3-[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 5,6-dimethyl-3-[2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-3-[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5,6-dimethyl-3-[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-keto-2-(4-methyl-3-nitro-phenyl)ethyl]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one Formula: C17H15N3O4S MolecularWeight: 357.3837

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CN2C=NC3=C(C2=O)C(=C(S3)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CN2C=NC3=C(C2=O)C(=C(S3)C)C)[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O4S/c1-9-4-5-12(6-13(9)20(23)24)14(21)7-19-8-18-16-15(17(19)22)10(2)11(3)25-16/h4-6,8H,7H2,1-3H3