1-[6-[6-[cyclopropyl(oxidanyl)methyl]-5-fluoranyl-pyridin-3-yl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]-3-ethyl-urea

Systemtic Name: 1-[6-[6-[cyclopropyl(oxidanyl)methyl]-5-fluoranyl-pyridin-3-yl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]-3-ethyl-urea Openeye Name: 1-[6-[6-[cyclopropyl(hydroxy)methyl]-5-fluoro-3-pyridyl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]-3-ethyl-urea CAS Name: 1-[6-[6-[cyclopropyl(hydroxy)methyl]-5-fluoro-3-pyridinyl]-4-(2-pyrimidinyl)-1H-benzimidazol-2-yl]-3-ethylurea IUPAC Name: 1-[6-[6-[cyclopropyl(hydroxy)methyl]-5-fluoropyridin-3-yl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]-3-ethylurea Traditional Name: 1-[6-[6-[cyclopropyl(hydroxy)methyl]-5-fluoro-3-pyridyl]-4-(2-pyrimidyl)-1H-benzimidazol-2-yl]-3-ethyl-urea Formula: C23H22FN7O2 MolecularWeight: 447.464883

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC1=NC2=C(C=C(C=C2N1)C3=CC(=C(N=C3)C(C4CC4)O)F)C5=NC=CC=N5

Isomeric SMILES

CCNC(=O)NC1=NC2=C(C=C(C=C2N1)C3=CC(=C(N=C3)C(C4CC4)O)F)C5=NC=CC=N5

InChI

InChI=1S/C23H22FN7O2/c1-2-25-23(33)31-22-29-17-10-13(8-15(18(17)30-22)21-26-6-3-7-27-21)14-9-16(24)19(28-11-14)20(32)12-4-5-12/h3,6-12,20,32H,2,4-5H2,1H3,(H3,25,29,30,31,33)