1-(5-bromanyl-2-methoxy-phenyl)-3-[1-(pyridin-4-ylmethyl)pyrrolo[2,3-b]pyridin-4-yl]urea

Systemtic Name: 1-(5-bromanyl-2-methoxy-phenyl)-3-[1-(pyridin-4-ylmethyl)pyrrolo[2,3-b]pyridin-4-yl]urea Openeye Name: 1-(5-bromo-2-methoxy-phenyl)-3-[1-(4-pyridylmethyl)pyrrolo[2,3-b]pyridin-4-yl]urea CAS Name: 1-(5-bromo-2-methoxyphenyl)-3-[1-(pyridin-4-ylmethyl)-4-pyrrolo[2,3-b]pyridinyl]urea IUPAC Name: 1-(5-bromo-2-methoxyphenyl)-3-[1-(pyridin-4-ylmethyl)pyrrolo[2,3-b]pyridin-4-yl]urea Traditional Name: 1-(5-bromo-2-methoxy-phenyl)-3-[1-(4-pyridylmethyl)pyrrolo[2,3-b]pyridin-4-yl]urea Formula: C21H18BrN5O2 MolecularWeight: 452.30392

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)NC(=O)NC2=C3C=CN(C3=NC=C2)CC4=CC=NC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)Br)NC(=O)NC2=C3C=CN(C3=NC=C2)CC4=CC=NC=C4

InChI

InChI=1S/C21H18BrN5O2/c1-29-19-3-2-15(22)12-18(19)26-21(28)25-17-6-10-24-20-16(17)7-11-27(20)13-14-4-8-23-9-5-14/h2-12H,13H2,1H3,(H2,24,25,26,28)