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

Systemtic Name: 1-[2-(1H-benzimidazol-2-ylmethylamino)-6-(2-chloranyl-4-methoxy-phenoxy)pyrimidin-4-yl]pyrrolidin-3-ol Openeye Name: 1-[2-(1H-benzimidazol-2-ylmethylamino)-6-(2-chloro-4-methoxy-phenoxy)pyrimidin-4-yl]pyrrolidin-3-ol CAS Name: 1-[2-(1H-benzimidazol-2-ylmethylamino)-6-(2-chloro-4-methoxyphenoxy)-4-pyrimidinyl]-3-pyrrolidinol IUPAC Name: 1-[2-(1H-benzimidazol-2-ylmethylamino)-6-(2-chloro-4-methoxyphenoxy)pyrimidin-4-yl]pyrrolidin-3-ol Traditional Name: 1-[2-(1H-benzimidazol-2-ylmethylamino)-6-(2-chloro-4-methoxy-phenoxy)pyrimidin-4-yl]pyrrolidin-3-ol Formula: C23H23ClN6O3 MolecularWeight: 466.92012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC2=NC(=NC(=C2)N3CCC(C3)O)NCC4=NC5=CC=CC=C5N4)Cl

Isomeric SMILES

COC1=CC(=C(C=C1)OC2=NC(=NC(=C2)N3CCC(C3)O)NCC4=NC5=CC=CC=C5N4)Cl

InChI

InChI=1S/C23H23ClN6O3/c1-32-15-6-7-19(16(24)10-15)33-22-11-21(30-9-8-14(31)13-30)28-23(29-22)25-12-20-26-17-4-2-3-5-18(17)27-20/h2-7,10-11,14,31H,8-9,12-13H2,1H3,(H,26,27)(H,25,28,29)