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

Systemtic Name: N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-2-ethyl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-2-ethyl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-ethyl-4,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-2-ethyl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C20H21BrN4O2S MolecularWeight: 461.37534

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C2C(=C(SC2=N1)C(=O)NCC(=O)NC3=C(C=C(C=C3)Br)C)C)C

Isomeric SMILES

CCC1=NC(=C2C(=C(SC2=N1)C(=O)NCC(=O)NC3=C(C=C(C=C3)Br)C)C)C

InChI

InChI=1S/C20H21BrN4O2S/c1-5-15-23-12(4)17-11(3)18(28-20(17)25-15)19(27)22-9-16(26)24-14-7-6-13(21)8-10(14)2/h6-8H,5,9H2,1-4H3,(H,22,27)(H,24,26)