[3-[2-morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidin-4-yl]phenyl] 2-azanyl-3-methyl-butanoate

Systemtic Name: [3-[2-morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidin-4-yl]phenyl] 2-azanyl-3-methyl-butanoate Openeye Name: [3-[2-morpholino-6-(3-pyridylamino)pyrimidin-4-yl]phenyl] 2-amino-3-methyl-butanoate CAS Name: 2-amino-3-methylbutanoic acid [3-[2-(4-morpholinyl)-6-(3-pyridinylamino)-4-pyrimidinyl]phenyl] ester IUPAC Name: [3-[2-morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidin-4-yl]phenyl] 2-amino-3-methylbutanoate Traditional Name: 2-amino-3-methyl-butyric acid [3-[2-morpholino-6-(3-pyridylamino)pyrimidin-4-yl]phenyl] ester Formula: C24H28N6O3 MolecularWeight: 448.51752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC1=CC=CC(=C1)C2=CC(=NC(=N2)N3CCOCC3)NC4=CN=CC=C4)N

Isomeric SMILES

CC(C)C(C(=O)OC1=CC=CC(=C1)C2=CC(=NC(=N2)N3CCOCC3)NC4=CN=CC=C4)N

InChI

InChI=1S/C24H28N6O3/c1-16(2)22(25)23(31)33-19-7-3-5-17(13-19)20-14-21(27-18-6-4-8-26-15-18)29-24(28-20)30-9-11-32-12-10-30/h3-8,13-16,22H,9-12,25H2,1-2H3,(H,27,28,29)