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

Systemtic Name: 3-[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]-5-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]-5-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-keto-2-(4-methyl-3-nitro-phenyl)ethyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C21H15N3O4S MolecularWeight: 405.4265

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

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CN2C=NC3=C(C2=O)C(=CS3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H15N3O4S/c1-13-7-8-15(9-17(13)24(27)28)18(25)10-23-12-22-20-19(21(23)26)16(11-29-20)14-5-3-2-4-6-14/h2-9,11-12H,10H2,1H3