N-[[4-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methyl]-2-(4-ethylpiperazin-1-yl)ethanamide

Systemtic Name: N-[[4-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methyl]-2-(4-ethylpiperazin-1-yl)ethanamide Openeye Name: N-[[4-[4-(3-chloro-4-fluoro-anilino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methyl]-2-(4-ethylpiperazin-1-yl)acetamide CAS Name: N-[[4-[4-(3-chloro-4-fluoroanilino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methyl]-2-(4-ethyl-1-piperazinyl)acetamide IUPAC Name: N-[[4-[4-(3-chloro-4-fluoroanilino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methyl]-2-(4-ethylpiperazin-1-yl)acetamide Traditional Name: N-[4-[4-(3-chloro-4-fluoro-anilino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]benzyl]-2-(4-ethylpiperazino)acetamide Formula: C27H29ClFN7O MolecularWeight: 522.016863

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC(=O)NCC2=CC=C(C=C2)C3=CC4=C(N3)N=CN=C4NC5=CC(=C(C=C5)F)Cl

Isomeric SMILES

CCN1CCN(CC1)CC(=O)NCC2=CC=C(C=C2)C3=CC4=C(N3)N=CN=C4NC5=CC(=C(C=C5)F)Cl

InChI

InChI=1S/C27H29ClFN7O/c1-2-35-9-11-36(12-10-35)16-25(37)30-15-18-3-5-19(6-4-18)24-14-21-26(31-17-32-27(21)34-24)33-20-7-8-23(29)22(28)13-20/h3-8,13-14,17H,2,9-12,15-16H2,1H3,(H,30,37)(H2,31,32,33,34)