4-[7-(6-chloranyl-5-fluoranyl-pyridin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine

Systemtic Name: 4-[7-(6-chloranyl-5-fluoranyl-pyridin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine Openeye Name: 4-[7-(6-chloro-5-fluoro-3-pyridyl)-3,4-dihydro-1H-isoquinolin-2-yl]-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine CAS Name: 4-[7-(6-chloro-5-fluoro-3-pyridinyl)-3,4-dihydro-1H-isoquinolin-2-yl]-6-(4-methyl-1-piperazinyl)-2-pyrimidinamine IUPAC Name: 4-[7-(6-chloro-5-fluoropyridin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine Traditional Name: [4-[7-(6-chloro-5-fluoro-3-pyridyl)-3,4-dihydro-1H-isoquinolin-2-yl]-6-(4-methylpiperazino)pyrimidin-2-yl]amine Formula: C23H25ClFN7 MolecularWeight: 453.942903

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC(=NC(=C2)N3CCC4=C(C3)C=C(C=C4)C5=CC(=C(N=C5)Cl)F)N

Isomeric SMILES

CN1CCN(CC1)C2=NC(=NC(=C2)N3CCC4=C(C3)C=C(C=C4)C5=CC(=C(N=C5)Cl)F)N

InChI

InChI=1S/C23H25ClFN7/c1-30-6-8-31(9-7-30)20-12-21(29-23(26)28-20)32-5-4-15-2-3-16(10-18(15)14-32)17-11-19(25)22(24)27-13-17/h2-3,10-13H,4-9,14H2,1H3,(H2,26,28,29)