N-(2-bromanyl-4-methyl-phenyl)-5-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-5-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-5-methyl-4-(2-methyl-1-piperidyl)thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-(2-bromo-4-methylphenyl)-5-methyl-4-(2-methyl-1-piperidinyl)-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-(2-bromo-4-methylphenyl)-5-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-5-methyl-4-(2-methylpiperidino)thieno[2,3-d]pyrimidine-6-carboxamide Formula: C21H23BrN4OS MolecularWeight: 459.40252

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C2=C3C(=C(SC3=NC=N2)C(=O)NC4=C(C=C(C=C4)C)Br)C

Isomeric SMILES

CC1CCCCN1C2=C3C(=C(SC3=NC=N2)C(=O)NC4=C(C=C(C=C4)C)Br)C

InChI

InChI=1S/C21H23BrN4OS/c1-12-7-8-16(15(22)10-12)25-20(27)18-14(3)17-19(23-11-24-21(17)28-18)26-9-5-4-6-13(26)2/h7-8,10-11,13H,4-6,9H2,1-3H3,(H,25,27)