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

Systemtic Name: 3-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]-5-methyl-4-oxidanylidene-N-phenyl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 3-[2-(4-bromoanilino)-2-oxo-ethyl]-5-methyl-4-oxo-N-phenyl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 3-[2-(4-bromoanilino)-2-oxoethyl]-5-methyl-4-oxo-N-phenyl-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 3-[2-(4-bromoanilino)-2-oxoethyl]-5-methyl-4-oxo-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 3-[2-(4-bromoanilino)-2-keto-ethyl]-4-keto-5-methyl-N-phenyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C22H17BrN4O3S MolecularWeight: 497.36438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NC3=CC=C(C=C3)Br)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NC3=CC=C(C=C3)Br)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C22H17BrN4O3S/c1-13-18-21(31-19(13)20(29)26-15-5-3-2-4-6-15)24-12-27(22(18)30)11-17(28)25-16-9-7-14(23)8-10-16/h2-10,12H,11H2,1H3,(H,25,28)(H,26,29)