N2-[3-chloranyl-4-(4-methylpiperazin-1-yl)phenyl]-N4-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoranyl-pyrimidine-2,4-diamine

Systemtic Name: N2-[3-chloranyl-4-(4-methylpiperazin-1-yl)phenyl]-N4-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoranyl-pyrimidine-2,4-diamine Openeye Name: N2-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-N4-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-pyrimidine-2,4-diamine CAS Name: N2-[3-chloro-4-(4-methyl-1-piperazinyl)phenyl]-N4-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoropyrimidine-2,4-diamine IUPAC Name: 2-N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoropyrimidine-2,4-diamine Traditional Name: [2-[3-chloro-4-(4-methylpiperazino)anilino]-5-fluoro-pyrimidin-4-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)amine Formula: C21H24ClFN8 MolecularWeight: 442.920263

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)NC3=NC=C(C(=N3)NC4=NNC(=C4)C5CC5)F)Cl

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)NC3=NC=C(C(=N3)NC4=NNC(=C4)C5CC5)F)Cl

InChI

InChI=1S/C21H24ClFN8/c1-30-6-8-31(9-7-30)18-5-4-14(10-15(18)22)25-21-24-12-16(23)20(27-21)26-19-11-17(28-29-19)13-2-3-13/h4-5,10-13H,2-3,6-9H2,1H3,(H3,24,25,26,27,28,29)