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

Systemtic Name: N-(1H-benzimidazol-2-ylmethyl)-6-(2-chloranyl-4-methoxy-phenoxy)-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine Openeye Name: N-(1H-benzimidazol-2-ylmethyl)-6-(2-chloro-4-methoxy-phenoxy)-2-[4-(2-pyridyl)piperazin-1-yl]pyrimidin-4-amine CAS Name: N-(1H-benzimidazol-2-ylmethyl)-6-(2-chloro-4-methoxyphenoxy)-2-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinamine IUPAC Name: N-(1H-benzimidazol-2-ylmethyl)-6-(2-chloro-4-methoxyphenoxy)-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine Traditional Name: 1H-benzimidazol-2-ylmethyl-[6-(2-chloro-4-methoxy-phenoxy)-2-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]amine Formula: C28H27ClN8O2 MolecularWeight: 543.01938

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC2=NC(=NC(=C2)NCC3=NC4=CC=CC=C4N3)N5CCN(CC5)C6=CC=CC=N6)Cl

Isomeric SMILES

COC1=CC(=C(C=C1)OC2=NC(=NC(=C2)NCC3=NC4=CC=CC=C4N3)N5CCN(CC5)C6=CC=CC=N6)Cl

InChI

InChI=1S/C28H27ClN8O2/c1-38-19-9-10-23(20(29)16-19)39-27-17-24(31-18-25-32-21-6-2-3-7-22(21)33-25)34-28(35-27)37-14-12-36(13-15-37)26-8-4-5-11-30-26/h2-11,16-17H,12-15,18H2,1H3,(H,32,33)(H,31,34,35)