5-(3-nitrophenyl)-3-[(3-phenoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(3-nitrophenyl)-3-[(3-phenoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(3-nitrophenyl)-3-[(3-phenoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(3-nitrophenyl)-3-[(3-phenoxyphenyl)methyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5-(3-nitrophenyl)-3-[(3-phenoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(3-nitrophenyl)-3-(3-phenoxybenzyl)thieno[2,3-d]pyrimidin-4-one Formula: C25H17N3O4S MolecularWeight: 455.48518

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=CC(=C2)CN3C=NC4=C(C3=O)C(=CS4)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC(=C2)CN3C=NC4=C(C3=O)C(=CS4)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H17N3O4S/c29-25-23-22(18-7-5-8-19(13-18)28(30)31)15-33-24(23)26-16-27(25)14-17-6-4-11-21(12-17)32-20-9-2-1-3-10-20/h1-13,15-16H,14H2