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

Systemtic Name: 5-methyl-3-[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl]-6-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-methyl-3-[2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl]-6-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-methyl-3-[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]-6-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5-methyl-3-[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]-6-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-keto-2-(4-methyl-3-nitro-phenyl)ethyl]-5-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C22H17N3O4S MolecularWeight: 419.45308

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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)C4=CC=CC=C4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CN2C=NC3=C(C2=O)C(=C(S3)C4=CC=CC=C4)C)[N+](=O)[O-]

InChI

InChI=1S/C22H17N3O4S/c1-13-8-9-16(10-17(13)25(28)29)18(26)11-24-12-23-21-19(22(24)27)14(2)20(30-21)15-6-4-3-5-7-15/h3-10,12H,11H2,1-2H3