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

Systemtic Name: 3-[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 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]thieno[2,3-d]pyrimidin-4-one Formula: C15H11N3O4S MolecularWeight: 329.33054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CN2C=NC3=C(C2=O)C=CS3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CN2C=NC3=C(C2=O)C=CS3)[N+](=O)[O-]

InChI

InChI=1S/C15H11N3O4S/c1-9-2-3-10(6-12(9)18(21)22)13(19)7-17-8-16-14-11(15(17)20)4-5-23-14/h2-6,8H,7H2,1H3