2-[5-(3-nitrophenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]-N-(4-phenoxyphenyl)ethanamide

Systemtic Name: 2-[5-(3-nitrophenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]-N-(4-phenoxyphenyl)ethanamide Openeye Name: 2-[5-(3-nitrophenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]-N-(4-phenoxyphenyl)acetamide CAS Name: 2-[5-(3-nitrophenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]-N-(4-phenoxyphenyl)acetamide IUPAC Name: 2-[5-(3-nitrophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(4-phenoxyphenyl)acetamide Traditional Name: 2-[4-keto-5-(3-nitrophenyl)thieno[2,3-d]pyrimidin-3-yl]-N-(4-phenoxyphenyl)acetamide Formula: C26H18N4O5S MolecularWeight: 498.50992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H18N4O5S/c31-23(28-18-9-11-21(12-10-18)35-20-7-2-1-3-8-20)14-29-16-27-25-24(26(29)32)22(15-36-25)17-5-4-6-19(13-17)30(33)34/h1-13,15-16H,14H2,(H,28,31)