4-[4-(1H-benzimidazol-2-ylmethylamino)-6-(2-chloranyl-4,5-dimethoxy-phenoxy)pyrimidin-2-yl]-N,N-dimethyl-piperazine-1-carboxamide

Systemtic Name: 4-[4-(1H-benzimidazol-2-ylmethylamino)-6-(2-chloranyl-4,5-dimethoxy-phenoxy)pyrimidin-2-yl]-N,N-dimethyl-piperazine-1-carboxamide Openeye Name: 4-[4-(1H-benzimidazol-2-ylmethylamino)-6-(2-chloro-4,5-dimethoxy-phenoxy)pyrimidin-2-yl]-N,N-dimethyl-piperazine-1-carboxamide CAS Name: 4-[4-(1H-benzimidazol-2-ylmethylamino)-6-(2-chloro-4,5-dimethoxyphenoxy)-2-pyrimidinyl]-N,N-dimethyl-1-piperazinecarboxamide IUPAC Name: 4-[4-(1H-benzimidazol-2-ylmethylamino)-6-(2-chloro-4,5-dimethoxyphenoxy)pyrimidin-2-yl]-N,N-dimethylpiperazine-1-carboxamide Traditional Name: 4-[4-(1H-benzimidazol-2-ylmethylamino)-6-(2-chloro-4,5-dimethoxy-phenoxy)pyrimidin-2-yl]-N,N-dimethyl-piperazine-1-carboxamide Formula: C27H31ClN8O4 MolecularWeight: 567.03924

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)N1CCN(CC1)C2=NC(=CC(=N2)OC3=C(C=C(C(=C3)OC)OC)Cl)NCC4=NC5=CC=CC=C5N4

Isomeric SMILES

CN(C)C(=O)N1CCN(CC1)C2=NC(=CC(=N2)OC3=C(C=C(C(=C3)OC)OC)Cl)NCC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C27H31ClN8O4/c1-34(2)27(37)36-11-9-35(10-12-36)26-32-23(29-16-24-30-18-7-5-6-8-19(18)31-24)15-25(33-26)40-20-14-22(39-4)21(38-3)13-17(20)28/h5-8,13-15H,9-12,16H2,1-4H3,(H,30,31)(H,29,32,33)