N-(4-ethoxy-2-methyl-5-propan-2-yl-phenyl)-5-fluoranyl-2-[4-(1,2,3-triazol-1-yl)piperidin-1-yl]pyrimidin-4-amine

Systemtic Name: N-(4-ethoxy-2-methyl-5-propan-2-yl-phenyl)-5-fluoranyl-2-[4-(1,2,3-triazol-1-yl)piperidin-1-yl]pyrimidin-4-amine Openeye Name: N-(4-ethoxy-5-isopropyl-2-methyl-phenyl)-5-fluoro-2-[4-(triazol-1-yl)-1-piperidyl]pyrimidin-4-amine CAS Name: N-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-5-fluoro-2-[4-(1-triazolyl)-1-piperidinyl]-4-pyrimidinamine IUPAC Name: N-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-5-fluoro-2-[4-(triazol-1-yl)piperidin-1-yl]pyrimidin-4-amine Traditional Name: (4-ethoxy-5-isopropyl-2-methyl-phenyl)-[5-fluoro-2-[4-(triazol-1-yl)piperidino]pyrimidin-4-yl]amine Formula: C23H30FN7O MolecularWeight: 439.529003

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1C(C)C)NC2=NC(=NC=C2F)N3CCC(CC3)N4C=CN=N4)C

Isomeric SMILES

CCOC1=CC(=C(C=C1C(C)C)NC2=NC(=NC=C2F)N3CCC(CC3)N4C=CN=N4)C

InChI

InChI=1S/C23H30FN7O/c1-5-32-21-12-16(4)20(13-18(21)15(2)3)27-22-19(24)14-25-23(28-22)30-9-6-17(7-10-30)31-11-8-26-29-31/h8,11-15,17H,5-7,9-10H2,1-4H3,(H,25,27,28)