N-[4-[4-azanyl-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-fluoranyl-phenyl]-1,3-benzoxazol-2-amine

Systemtic Name: N-[4-[4-azanyl-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-fluoranyl-phenyl]-1,3-benzoxazol-2-amine Openeye Name: N-[4-[4-amino-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-fluoro-phenyl]-1,3-benzoxazol-2-amine CAS Name: N-[4-[4-amino-7-[4-(4-methyl-1-piperazinyl)cyclohexyl]-5-pyrrolo[2,3-d]pyrimidinyl]-2-fluorophenyl]-1,3-benzoxazol-2-amine IUPAC Name: N-[4-[4-amino-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-fluorophenyl]-1,3-benzoxazol-2-amine Traditional Name: [4-[4-amino-7-[4-(4-methylpiperazino)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-fluoro-phenyl]-(1,3-benzoxazol-2-yl)amine Formula: C30H33FN8O MolecularWeight: 540.634423

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2CCC(CC2)N3C=C(C4=C3N=CN=C4N)C5=CC(=C(C=C5)NC6=NC7=CC=CC=C7O6)F

Isomeric SMILES

CN1CCN(CC1)C2CCC(CC2)N3C=C(C4=C3N=CN=C4N)C5=CC(=C(C=C5)NC6=NC7=CC=CC=C7O6)F

InChI

InChI=1S/C30H33FN8O/c1-37-12-14-38(15-13-37)20-7-9-21(10-8-20)39-17-22(27-28(32)33-18-34-29(27)39)19-6-11-24(23(31)16-19)35-30-36-25-4-2-3-5-26(25)40-30/h2-6,11,16-18,20-21H,7-10,12-15H2,1H3,(H,35,36)(H2,32,33,34)