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

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-5-methyl-4-piperidin-1-yl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-5-methyl-4-(1-piperidyl)thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-(2-bromo-4-methylphenyl)-5-methyl-4-(1-piperidinyl)-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-(2-bromo-4-methylphenyl)-5-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-5-methyl-4-piperidino-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C20H21BrN4OS MolecularWeight: 445.37594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=C(C3=C(N=CN=C3S2)N4CCCCC4)C)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=C(C3=C(N=CN=C3S2)N4CCCCC4)C)Br

InChI

InChI=1S/C20H21BrN4OS/c1-12-6-7-15(14(21)10-12)24-19(26)17-13(2)16-18(22-11-23-20(16)27-17)25-8-4-3-5-9-25/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,24,26)