N-(1H-benzimidazol-2-ylmethyl)-6-(2-chloranyl-4,5-dimethoxy-phenoxy)-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine

Systemtic Name: N-(1H-benzimidazol-2-ylmethyl)-6-(2-chloranyl-4,5-dimethoxy-phenoxy)-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine Openeye Name: N-(1H-benzimidazol-2-ylmethyl)-6-(2-chloro-4,5-dimethoxy-phenoxy)-2-[4-(2-pyridyl)piperazin-1-yl]pyrimidin-4-amine CAS Name: N-(1H-benzimidazol-2-ylmethyl)-6-(2-chloro-4,5-dimethoxyphenoxy)-2-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinamine IUPAC Name: N-(1H-benzimidazol-2-ylmethyl)-6-(2-chloro-4,5-dimethoxyphenoxy)-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine Traditional Name: 1H-benzimidazol-2-ylmethyl-[6-(2-chloro-4,5-dimethoxy-phenoxy)-2-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]amine Formula: C29H29ClN8O3 MolecularWeight: 573.04536

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1OC)Cl)OC2=NC(=NC(=C2)NCC3=NC4=CC=CC=C4N3)N5CCN(CC5)C6=CC=CC=N6

Isomeric SMILES

COC1=CC(=C(C=C1OC)Cl)OC2=NC(=NC(=C2)NCC3=NC4=CC=CC=C4N3)N5CCN(CC5)C6=CC=CC=N6

InChI

InChI=1S/C29H29ClN8O3/c1-39-23-15-19(30)22(16-24(23)40-2)41-28-17-25(32-18-26-33-20-7-3-4-8-21(20)34-26)35-29(36-28)38-13-11-37(12-14-38)27-9-5-6-10-31-27/h3-10,15-17H,11-14,18H2,1-2H3,(H,33,34)(H,32,35,36)