N-(1H-benzimidazol-2-ylmethyl)-6-(2-chloranyl-4-methoxy-phenoxy)-2-[4-(2-dimethylaminoethyl)piperazin-1-yl]pyrimidin-4-amine

Systemtic Name: N-(1H-benzimidazol-2-ylmethyl)-6-(2-chloranyl-4-methoxy-phenoxy)-2-[4-(2-dimethylaminoethyl)piperazin-1-yl]pyrimidin-4-amine Openeye Name: N-(1H-benzimidazol-2-ylmethyl)-6-(2-chloro-4-methoxy-phenoxy)-2-[4-(2-dimethylaminoethyl)piperazin-1-yl]pyrimidin-4-amine CAS Name: N-(1H-benzimidazol-2-ylmethyl)-6-(2-chloro-4-methoxyphenoxy)-2-[4-(2-dimethylaminoethyl)-1-piperazinyl]-4-pyrimidinamine IUPAC Name: N-(1H-benzimidazol-2-ylmethyl)-6-(2-chloro-4-methoxyphenoxy)-2-[4-(2-dimethylaminoethyl)piperazin-1-yl]pyrimidin-4-amine Traditional Name: 2-[4-[4-(1H-benzimidazol-2-ylmethylamino)-6-(2-chloro-4-methoxy-phenoxy)pyrimidin-2-yl]piperazino]ethyl-dimethyl-amine Formula: C27H33ClN8O2 MolecularWeight: 537.05632

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1CCN(CC1)C2=NC(=CC(=N2)OC3=C(C=C(C=C3)OC)Cl)NCC4=NC5=CC=CC=C5N4

Isomeric SMILES

CN(C)CCN1CCN(CC1)C2=NC(=CC(=N2)OC3=C(C=C(C=C3)OC)Cl)NCC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C27H33ClN8O2/c1-34(2)10-11-35-12-14-36(15-13-35)27-32-24(29-18-25-30-21-6-4-5-7-22(21)31-25)17-26(33-27)38-23-9-8-19(37-3)16-20(23)28/h4-9,16-17H,10-15,18H2,1-3H3,(H,30,31)(H,29,32,33)