1-[2-(4-azanyl-7-cyclopentyl-pyrrolo[2,3-d]pyrimidin-5-yl)-3H-benzimidazol-5-yl]-3-[2,4-bis(fluoranyl)phenyl]urea

Systemtic Name: 1-[2-(4-azanyl-7-cyclopentyl-pyrrolo[2,3-d]pyrimidin-5-yl)-3H-benzimidazol-5-yl]-3-[2,4-bis(fluoranyl)phenyl]urea Openeye Name: 1-[2-(4-amino-7-cyclopentyl-pyrrolo[2,3-d]pyrimidin-5-yl)-3H-benzimidazol-5-yl]-3-(2,4-difluorophenyl)urea CAS Name: 1-[2-(4-amino-7-cyclopentyl-5-pyrrolo[2,3-d]pyrimidinyl)-3H-benzimidazol-5-yl]-3-(2,4-difluorophenyl)urea IUPAC Name: 1-[2-(4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidin-5-yl)-3H-benzimidazol-5-yl]-3-(2,4-difluorophenyl)urea Traditional Name: 1-[2-(4-amino-7-cyclopentyl-pyrrolo[2,3-d]pyrimidin-5-yl)-3H-benzimidazol-5-yl]-3-(2,4-difluorophenyl)urea Formula: C25H22F2N8O MolecularWeight: 488.491986

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=C(C3=C2N=CN=C3N)C4=NC5=C(N4)C=C(C=C5)NC(=O)NC6=C(C=C(C=C6)F)F

Isomeric SMILES

C1CCC(C1)N2C=C(C3=C2N=CN=C3N)C4=NC5=C(N4)C=C(C=C5)NC(=O)NC6=C(C=C(C=C6)F)F

InChI

InChI=1S/C25H22F2N8O/c26-13-5-7-18(17(27)9-13)34-25(36)31-14-6-8-19-20(10-14)33-23(32-19)16-11-35(15-3-1-2-4-15)24-21(16)22(28)29-12-30-24/h5-12,15H,1-4H2,(H,32,33)(H2,28,29,30)(H2,31,34,36)