(1S,2R,3S,4R)-N-cyclopropyl-3-[[5-fluoranyl-2-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]amino]bicyclo[2.2.1]heptane-2-carboxamide

Systemtic Name: (1S,2R,3S,4R)-N-cyclopropyl-3-[[5-fluoranyl-2-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]amino]bicyclo[2.2.1]heptane-2-carboxamide Openeye Name: (1S,2R,3S,4R)-N-cyclopropyl-3-[[5-fluoro-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]norbornane-2-carboxamide CAS Name: (1S,2R,3S,4R)-N-cyclopropyl-3-[[5-fluoro-2-[3-methyl-4-(4-methyl-1-piperazinyl)anilino]-4-pyrimidinyl]amino]-2-bicyclo[2.2.1]heptanecarboxamide IUPAC Name: (1S,2R,3S,4R)-N-cyclopropyl-3-[[5-fluoro-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]bicyclo[2.2.1]heptane-2-carboxamide Traditional Name: (1S,2R,3S,4R)-N-cyclopropyl-3-[[5-fluoro-2-[3-methyl-4-(4-methylpiperazino)anilino]pyrimidin-4-yl]amino]norbornane-2-carboxamide Formula: C27H36FN7O MolecularWeight: 493.619443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=NC=C(C(=N2)NC3C4CCC(C4)C3C(=O)NC5CC5)F)N6CCN(CC6)C

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC=C(C(=N2)N[C@H]3[C@@H]4CC[C@@H](C4)[C@H]3C(=O)NC5CC5)F)N6CCN(CC6)C

InChI

InChI=1S/C27H36FN7O/c1-16-13-20(7-8-22(16)35-11-9-34(2)10-12-35)31-27-29-15-21(28)25(33-27)32-24-18-4-3-17(14-18)23(24)26(36)30-19-5-6-19/h7-8,13,15,17-19,23-24H,3-6,9-12,14H2,1-2H3,(H,30,36)(H2,29,31,32,33)/t17-,18+,23+,24-/m0/s1