1-[6-[2-[(3-chloranyl-4-fluoranyl-phenyl)methylamino]pyrimidin-5-yl]-1H-benzimidazol-2-yl]-3-ethyl-urea

Systemtic Name: 1-[6-[2-[(3-chloranyl-4-fluoranyl-phenyl)methylamino]pyrimidin-5-yl]-1H-benzimidazol-2-yl]-3-ethyl-urea Openeye Name: 1-[6-[2-[(3-chloro-4-fluoro-phenyl)methylamino]pyrimidin-5-yl]-1H-benzimidazol-2-yl]-3-ethyl-urea CAS Name: 1-[6-[2-[(3-chloro-4-fluorophenyl)methylamino]-5-pyrimidinyl]-1H-benzimidazol-2-yl]-3-ethylurea IUPAC Name: 1-[6-[2-[(3-chloro-4-fluorophenyl)methylamino]pyrimidin-5-yl]-1H-benzimidazol-2-yl]-3-ethylurea Traditional Name: 1-[6-[2-[(3-chloro-4-fluoro-benzyl)amino]pyrimidin-5-yl]-1H-benzimidazol-2-yl]-3-ethyl-urea Formula: C21H19ClFN7O MolecularWeight: 439.873263

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC1=NC2=C(N1)C=C(C=C2)C3=CN=C(N=C3)NCC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

CCNC(=O)NC1=NC2=C(N1)C=C(C=C2)C3=CN=C(N=C3)NCC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C21H19ClFN7O/c1-2-24-21(31)30-20-28-17-6-4-13(8-18(17)29-20)14-10-26-19(27-11-14)25-9-12-3-5-16(23)15(22)7-12/h3-8,10-11H,2,9H2,1H3,(H,25,26,27)(H3,24,28,29,30,31)