4-[2-(1H-benzimidazol-2-ylmethylamino)-6-(2-chloranyl-4-methoxy-phenoxy)pyrimidin-4-yl]-1-(furan-2-ylcarbonyl)piperazin-2-one

Systemtic Name: 4-[2-(1H-benzimidazol-2-ylmethylamino)-6-(2-chloranyl-4-methoxy-phenoxy)pyrimidin-4-yl]-1-(furan-2-ylcarbonyl)piperazin-2-one Openeye Name: 4-[2-(1H-benzimidazol-2-ylmethylamino)-6-(2-chloro-4-methoxy-phenoxy)pyrimidin-4-yl]-1-(furan-2-carbonyl)piperazin-2-one CAS Name: 4-[2-(1H-benzimidazol-2-ylmethylamino)-6-(2-chloro-4-methoxyphenoxy)-4-pyrimidinyl]-1-[2-furanyl(oxo)methyl]-2-piperazinone IUPAC Name: 4-[2-(1H-benzimidazol-2-ylmethylamino)-6-(2-chloro-4-methoxyphenoxy)pyrimidin-4-yl]-1-(furan-2-carbonyl)piperazin-2-one Traditional Name: 4-[2-(1H-benzimidazol-2-ylmethylamino)-6-(2-chloro-4-methoxy-phenoxy)pyrimidin-4-yl]-1-(2-furoyl)piperazin-2-one Formula: C28H24ClN7O5 MolecularWeight: 573.98706

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC2=NC(=NC(=C2)N3CCN(C(=O)C3)C(=O)C4=CC=CO4)NCC5=NC6=CC=CC=C6N5)Cl

Isomeric SMILES

COC1=CC(=C(C=C1)OC2=NC(=NC(=C2)N3CCN(C(=O)C3)C(=O)C4=CC=CO4)NCC5=NC6=CC=CC=C6N5)Cl

InChI

InChI=1S/C28H24ClN7O5/c1-39-17-8-9-21(18(29)13-17)41-25-14-24(35-10-11-36(26(37)16-35)27(38)22-7-4-12-40-22)33-28(34-25)30-15-23-31-19-5-2-3-6-20(19)32-23/h2-9,12-14H,10-11,15-16H2,1H3,(H,31,32)(H,30,33,34)