9-ethyl-N-(4-fluoranyl-3-methoxy-phenyl)-8-[2-(methylamino)pyrimidin-4-yl]purin-2-amine

Systemtic Name: 9-ethyl-N-(4-fluoranyl-3-methoxy-phenyl)-8-[2-(methylamino)pyrimidin-4-yl]purin-2-amine Openeye Name: 9-ethyl-N-(4-fluoro-3-methoxy-phenyl)-8-[2-(methylamino)pyrimidin-4-yl]purin-2-amine CAS Name: 9-ethyl-N-(4-fluoro-3-methoxyphenyl)-8-[2-(methylamino)-4-pyrimidinyl]-2-purinamine IUPAC Name: 9-ethyl-N-(4-fluoro-3-methoxyphenyl)-8-[2-(methylamino)pyrimidin-4-yl]purin-2-amine Traditional Name: [4-[9-ethyl-2-(4-fluoro-3-methoxy-anilino)purin-8-yl]pyrimidin-2-yl]-methyl-amine Formula: C19H19FN8O MolecularWeight: 394.405563

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NC2=CN=C(N=C21)NC3=CC(=C(C=C3)F)OC)C4=NC(=NC=C4)NC

Isomeric SMILES

CCN1C(=NC2=CN=C(N=C21)NC3=CC(=C(C=C3)F)OC)C4=NC(=NC=C4)NC

InChI

InChI=1S/C19H19FN8O/c1-4-28-16(13-7-8-22-18(21-2)26-13)25-14-10-23-19(27-17(14)28)24-11-5-6-12(20)15(9-11)29-3/h5-10H,4H2,1-3H3,(H,21,22,26)(H,23,24,27)