1-ethyl-3-[4-pyrimidin-2-yl-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-benzimidazol-2-yl]urea

Systemtic Name: 1-ethyl-3-[4-pyrimidin-2-yl-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-benzimidazol-2-yl]urea Openeye Name: 1-ethyl-3-[4-pyrimidin-2-yl-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-benzimidazol-2-yl]urea CAS Name: 1-ethyl-3-[4-(2-pyrimidinyl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-benzimidazol-2-yl]urea IUPAC Name: 1-ethyl-3-[4-pyrimidin-2-yl-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-benzimidazol-2-yl]urea Traditional Name: 1-ethyl-3-[4-(2-pyrimidyl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-benzimidazol-2-yl]urea Formula: C21H18N8O MolecularWeight: 398.42062

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC1=NC2=C(C=C(C=C2N1)C3=CN=C4C(=C3)C=CN4)C5=NC=CC=N5

Isomeric SMILES

CCNC(=O)NC1=NC2=C(C=C(C=C2N1)C3=CN=C4C(=C3)C=CN4)C5=NC=CC=N5

InChI

InChI=1S/C21H18N8O/c1-2-22-21(30)29-20-27-16-10-13(14-8-12-4-7-25-18(12)26-11-14)9-15(17(16)28-20)19-23-5-3-6-24-19/h3-11H,2H2,1H3,(H,25,26)(H3,22,27,28,29,30)