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

Systemtic Name: N-[2-bromanyl-4,6-bis(fluoranyl)phenyl]-3-[(3-fluorophenyl)methyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-(2-bromo-4,6-difluoro-phenyl)-3-[(3-fluorophenyl)methyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-(2-bromo-4,6-difluorophenyl)-3-[(3-fluorophenyl)methyl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-(2-bromo-4,6-difluorophenyl)-3-[(3-fluorophenyl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-(2-bromo-4,6-difluoro-phenyl)-3-(3-fluorobenzyl)-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C21H13BrF3N3O2S MolecularWeight: 508.31103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC(=CC=C3)F)C(=O)NC4=C(C=C(C=C4Br)F)F

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC(=CC=C3)F)C(=O)NC4=C(C=C(C=C4Br)F)F

InChI

InChI=1S/C21H13BrF3N3O2S/c1-10-16-20(26-9-28(21(16)30)8-11-3-2-4-12(23)5-11)31-18(10)19(29)27-17-14(22)6-13(24)7-15(17)25/h2-7,9H,8H2,1H3,(H,27,29)