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

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2,5-dimethyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-2,5-dimethyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-(4-bromo-2-methylphenyl)-2,5-dimethyl-4-(4-methyl-1-piperazinyl)-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2,5-dimethyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-2,5-dimethyl-4-(4-methylpiperazino)thieno[2,3-d]pyrimidine-6-carboxamide Formula: C21H24BrN5OS MolecularWeight: 474.41716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrN5OS/c1-12-11-15(22)5-6-16(12)25-20(28)18-13(2)17-19(23-14(3)24-21(17)29-18)27-9-7-26(4)8-10-27/h5-6,11H,7-10H2,1-4H3,(H,25,28)