3-[[5-fluoranyl-2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methyl-phenyl]amino]pyrimidin-4-yl]amino]bicyclo[2.2.1]hept-5-ene-2-carboxamide

Systemtic Name: 3-[[5-fluoranyl-2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methyl-phenyl]amino]pyrimidin-4-yl]amino]bicyclo[2.2.1]hept-5-ene-2-carboxamide Openeye Name: 3-[[5-fluoro-2-[4-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methyl-anilino]pyrimidin-4-yl]amino]bicyclo[2.2.1]hept-5-ene-2-carboxamide CAS Name: 3-[[5-fluoro-2-[4-[4-(2-hydroxyethyl)-1-piperazinyl]-3-methylanilino]-4-pyrimidinyl]amino]-2-bicyclo[2.2.1]hept-5-enecarboxamide IUPAC Name: 3-[[5-fluoro-2-[4-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methylanilino]pyrimidin-4-yl]amino]bicyclo[2.2.1]hept-5-ene-2-carboxamide Traditional Name: 3-[[5-fluoro-2-[4-[4-(2-hydroxyethyl)piperazino]-3-methyl-anilino]pyrimidin-4-yl]amino]bicyclo[2.2.1]hept-5-ene-2-carboxamide Formula: C25H32FN7O2 MolecularWeight: 481.565683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=NC=C(C(=N2)NC3C4CC(C3C(=O)N)C=C4)F)N5CCN(CC5)CCO

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC=C(C(=N2)NC3C4CC(C3C(=O)N)C=C4)F)N5CCN(CC5)CCO

InChI

InChI=1S/C25H32FN7O2/c1-15-12-18(4-5-20(15)33-8-6-32(7-9-33)10-11-34)29-25-28-14-19(26)24(31-25)30-22-17-3-2-16(13-17)21(22)23(27)35/h2-5,12,14,16-17,21-22,34H,6-11,13H2,1H3,(H2,27,35)(H2,28,29,30,31)