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

Systemtic Name: 3-[(4-bromophenyl)methyl]-5-methyl-4-oxidanylidene-N-phenyl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 3-[(4-bromophenyl)methyl]-5-methyl-4-oxo-N-phenyl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 3-[(4-bromophenyl)methyl]-5-methyl-4-oxo-N-phenyl-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 3-[(4-bromophenyl)methyl]-5-methyl-4-oxo-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 3-(4-bromobenzyl)-4-keto-5-methyl-N-phenyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C21H16BrN3O2S MolecularWeight: 454.33964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC=C(C=C3)Br)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC=C(C=C3)Br)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C21H16BrN3O2S/c1-13-17-20(28-18(13)19(26)24-16-5-3-2-4-6-16)23-12-25(21(17)27)11-14-7-9-15(22)10-8-14/h2-10,12H,11H2,1H3,(H,24,26)