N-[1-[4-(1H-benzimidazol-2-ylmethylamino)-6-(2-chloranyl-4-methoxy-phenoxy)pyrimidin-2-yl]pyrrolidin-3-yl]-N-ethyl-ethanamide

Systemtic Name: N-[1-[4-(1H-benzimidazol-2-ylmethylamino)-6-(2-chloranyl-4-methoxy-phenoxy)pyrimidin-2-yl]pyrrolidin-3-yl]-N-ethyl-ethanamide Openeye Name: N-[1-[4-(1H-benzimidazol-2-ylmethylamino)-6-(2-chloro-4-methoxy-phenoxy)pyrimidin-2-yl]pyrrolidin-3-yl]-N-ethyl-acetamide CAS Name: N-[1-[4-(1H-benzimidazol-2-ylmethylamino)-6-(2-chloro-4-methoxyphenoxy)-2-pyrimidinyl]-3-pyrrolidinyl]-N-ethylacetamide IUPAC Name: N-[1-[4-(1H-benzimidazol-2-ylmethylamino)-6-(2-chloro-4-methoxyphenoxy)pyrimidin-2-yl]pyrrolidin-3-yl]-N-ethylacetamide Traditional Name: N-[1-[4-(1H-benzimidazol-2-ylmethylamino)-6-(2-chloro-4-methoxy-phenoxy)pyrimidin-2-yl]pyrrolidin-3-yl]-N-ethyl-acetamide Formula: C27H30ClN7O3 MolecularWeight: 536.0252

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCN(C1)C2=NC(=CC(=N2)OC3=C(C=C(C=C3)OC)Cl)NCC4=NC5=CC=CC=C5N4)C(=O)C

Isomeric SMILES

CCN(C1CCN(C1)C2=NC(=CC(=N2)OC3=C(C=C(C=C3)OC)Cl)NCC4=NC5=CC=CC=C5N4)C(=O)C

InChI

InChI=1S/C27H30ClN7O3/c1-4-35(17(2)36)18-11-12-34(16-18)27-32-24(29-15-25-30-21-7-5-6-8-22(21)31-25)14-26(33-27)38-23-10-9-19(37-3)13-20(23)28/h5-10,13-14,18H,4,11-12,15-16H2,1-3H3,(H,30,31)(H,29,32,33)