N-[4-methyl-3-[(2-piperazin-1-yloxypyrimidin-4-yl)amino]phenyl]-2-morpholin-4-yl-pyridine-4-carboxamide trihydrochloride

Systemtic Name: N-[4-methyl-3-[(2-piperazin-1-yloxypyrimidin-4-yl)amino]phenyl]-2-morpholin-4-yl-pyridine-4-carboxamide trihydrochloride Openeye Name: N-[4-methyl-3-[(2-piperazin-1-yloxypyrimidin-4-yl)amino]phenyl]-2-morpholino-pyridine-4-carboxamide trihydrochloride CAS Name: N-[4-methyl-3-[[2-(1-piperazinyloxy)-4-pyrimidinyl]amino]phenyl]-2-(4-morpholinyl)-4-pyridinecarboxamide trihydrochloride IUPAC Name: N-[4-methyl-3-[(2-piperazin-1-yloxypyrimidin-4-yl)amino]phenyl]-2-morpholin-4-ylpyridine-4-carboxamide trihydrochloride Traditional Name: N-[4-methyl-3-[(2-piperazinooxypyrimidin-4-yl)amino]phenyl]-2-morpholino-isonicotinamide trihydrochloride Formula: C25H33Cl3N8O3 MolecularWeight: 599.94032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=NC=C2)N3CCOCC3)NC4=NC(=NC=C4)ON5CCNCC5.Cl.Cl.Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=NC=C2)N3CCOCC3)NC4=NC(=NC=C4)ON5CCNCC5.Cl.Cl.Cl

InChI

InChI=1S/C25H30N8O3.3ClH/c1-18-2-3-20(29-24(34)19-4-6-27-23(16-19)32-12-14-35-15-13-32)17-21(18)30-22-5-7-28-25(31-22)36-33-10-8-26-9-11-33;;;/h2-7,16-17,26H,8-15H2,1H3,(H,29,34)(H,28,30,31);3*1H