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

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-(2-bromo-4-methylphenyl)-5-methyl-4-(4-phenyl-1-piperazinyl)-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-(2-bromo-4-methylphenyl)-5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-5-methyl-4-(4-phenylpiperazino)thieno[2,3-d]pyrimidine-6-carboxamide Formula: C25H24BrN5OS MolecularWeight: 522.45996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=C(C3=C(N=CN=C3S2)N4CCN(CC4)C5=CC=CC=C5)C)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=C(C3=C(N=CN=C3S2)N4CCN(CC4)C5=CC=CC=C5)C)Br

InChI

InChI=1S/C25H24BrN5OS/c1-16-8-9-20(19(26)14-16)29-24(32)22-17(2)21-23(27-15-28-25(21)33-22)31-12-10-30(11-13-31)18-6-4-3-5-7-18/h3-9,14-15H,10-13H2,1-2H3,(H,29,32)