4-[6-(piperidin-4-ylamino)pyridin-3-yl]-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine ethanoate

Systemtic Name: 4-[6-(piperidin-4-ylamino)pyridin-3-yl]-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine ethanoate Openeye Name: 4-[6-(4-piperidylamino)-3-pyridyl]-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine acetate CAS Name: 4-[6-(4-piperidinylamino)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)-2-pyrimidinamine acetate IUPAC Name: 4-[6-(piperidin-4-ylamino)pyridin-3-yl]-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine acetate Traditional Name: 4-piperidyl-[5-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]-2-pyridyl]amine acetate Formula: C25H31N6O5- MolecularWeight: 495.55084

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].COC1=CC(=CC(=C1OC)OC)NC2=NC=CC(=N2)C3=CN=C(C=C3)NC4CCNCC4

Isomeric SMILES

CC(=O)[O-].COC1=CC(=CC(=C1OC)OC)NC2=NC=CC(=N2)C3=CN=C(C=C3)NC4CCNCC4

InChI

InChI=1S/C23H28N6O3.C2H4O2/c1-30-19-12-17(13-20(31-2)22(19)32-3)28-23-25-11-8-18(29-23)15-4-5-21(26-14-15)27-16-6-9-24-10-7-16;1-2(3)4/h4-5,8,11-14,16,24H,6-7,9-10H2,1-3H3,(H,26,27)(H,25,28,29);1H3,(H,3,4)/p-1