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

Systemtic Name: N-(1H-benzimidazol-2-ylmethyl)-4-(2-chloranyl-4-methoxy-phenoxy)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine Openeye Name: N-(1H-benzimidazol-2-ylmethyl)-4-(2-chloro-4-methoxy-phenoxy)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine CAS Name: N-(1H-benzimidazol-2-ylmethyl)-4-(2-chloro-4-methoxyphenoxy)-6-[4-(2-pyrimidinyl)-1-piperazinyl]-2-pyrimidinamine IUPAC Name: N-(1H-benzimidazol-2-ylmethyl)-4-(2-chloro-4-methoxyphenoxy)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine Traditional Name: 1H-benzimidazol-2-ylmethyl-[4-(2-chloro-4-methoxy-phenoxy)-6-[4-(2-pyrimidyl)piperazino]pyrimidin-2-yl]amine Formula: C27H26ClN9O2 MolecularWeight: 544.00744

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC2=NC(=NC(=C2)N3CCN(CC3)C4=NC=CC=N4)NCC5=NC6=CC=CC=C6N5)Cl

Isomeric SMILES

COC1=CC(=C(C=C1)OC2=NC(=NC(=C2)N3CCN(CC3)C4=NC=CC=N4)NCC5=NC6=CC=CC=C6N5)Cl

InChI

InChI=1S/C27H26ClN9O2/c1-38-18-7-8-22(19(28)15-18)39-25-16-24(36-11-13-37(14-12-36)27-29-9-4-10-30-27)34-26(35-25)31-17-23-32-20-5-2-3-6-21(20)33-23/h2-10,15-16H,11-14,17H2,1H3,(H,32,33)(H,31,34,35)