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

Systemtic Name: N-(1H-benzimidazol-2-ylmethyl)-6-(2-chloranyl-4,5-dimethoxy-phenoxy)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine Openeye Name: N-(1H-benzimidazol-2-ylmethyl)-6-(2-chloro-4,5-dimethoxy-phenoxy)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine CAS Name: N-(1H-benzimidazol-2-ylmethyl)-6-(2-chloro-4,5-dimethoxyphenoxy)-2-[4-(2-pyrimidinyl)-1-piperazinyl]-4-pyrimidinamine IUPAC Name: N-(1H-benzimidazol-2-ylmethyl)-6-(2-chloro-4,5-dimethoxyphenoxy)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine Traditional Name: 1H-benzimidazol-2-ylmethyl-[6-(2-chloro-4,5-dimethoxy-phenoxy)-2-[4-(2-pyrimidyl)piperazino]pyrimidin-4-yl]amine Formula: C28H28ClN9O3 MolecularWeight: 574.03342

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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=NC=CC=N6

Isomeric SMILES

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

InChI

InChI=1S/C28H28ClN9O3/c1-39-22-14-18(29)21(15-23(22)40-2)41-26-16-24(32-17-25-33-19-6-3-4-7-20(19)34-25)35-28(36-26)38-12-10-37(11-13-38)27-30-8-5-9-31-27/h3-9,14-16H,10-13,17H2,1-2H3,(H,33,34)(H,32,35,36)