3-[(2-fluorophenyl)methyl]-5-methyl-N-(3-nitro-5-phenoxy-phenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: 3-[(2-fluorophenyl)methyl]-5-methyl-N-(3-nitro-5-phenoxy-phenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 3-[(2-fluorophenyl)methyl]-5-methyl-N-(3-nitro-5-phenoxy-phenyl)-4-oxo-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 3-[(2-fluorophenyl)methyl]-5-methyl-N-(3-nitro-5-phenoxyphenyl)-4-oxo-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 3-[(2-fluorophenyl)methyl]-5-methyl-N-(3-nitro-5-phenoxyphenyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 3-(2-fluorobenzyl)-4-keto-5-methyl-N-(3-nitro-5-phenoxy-phenyl)thieno[2,3-d]pyrimidine-6-carboxamide Formula: C27H19FN4O5S MolecularWeight: 530.526963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC=CC=C3F)C(=O)NC4=CC(=CC(=C4)OC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC=CC=C3F)C(=O)NC4=CC(=CC(=C4)OC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H19FN4O5S/c1-16-23-26(29-15-31(27(23)34)14-17-7-5-6-10-22(17)28)38-24(16)25(33)30-18-11-19(32(35)36)13-21(12-18)37-20-8-3-2-4-9-20/h2-13,15H,14H2,1H3,(H,30,33)