1-[3-[[4-[(5-methoxy-2-methyl-phenyl)-methyl-amino]pyrimidin-2-yl]amino]-5-morpholin-4-yl-phenyl]piperidin-4-ol

Systemtic Name: 1-[3-[[4-[(5-methoxy-2-methyl-phenyl)-methyl-amino]pyrimidin-2-yl]amino]-5-morpholin-4-yl-phenyl]piperidin-4-ol Openeye Name: 1-[3-[[4-(5-methoxy-N,2-dimethyl-anilino)pyrimidin-2-yl]amino]-5-morpholino-phenyl]piperidin-4-ol CAS Name: 1-[3-[[4-(5-methoxy-N,2-dimethylanilino)-2-pyrimidinyl]amino]-5-(4-morpholinyl)phenyl]-4-piperidinol IUPAC Name: 1-[3-[[4-(5-methoxy-N,2-dimethylanilino)pyrimidin-2-yl]amino]-5-morpholin-4-ylphenyl]piperidin-4-ol Traditional Name: 1-[3-[[4-(5-methoxy-N,2-dimethyl-anilino)pyrimidin-2-yl]amino]-5-morpholino-phenyl]piperidin-4-ol Formula: C28H36N6O3 MolecularWeight: 504.62384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC)N(C)C2=NC(=NC=C2)NC3=CC(=CC(=C3)N4CCOCC4)N5CCC(CC5)O

Isomeric SMILES

CC1=C(C=C(C=C1)OC)N(C)C2=NC(=NC=C2)NC3=CC(=CC(=C3)N4CCOCC4)N5CCC(CC5)O

InChI

InChI=1S/C28H36N6O3/c1-20-4-5-25(36-3)19-26(20)32(2)27-6-9-29-28(31-27)30-21-16-22(33-10-7-24(35)8-11-33)18-23(17-21)34-12-14-37-15-13-34/h4-6,9,16-19,24,35H,7-8,10-15H2,1-3H3,(H,29,30,31)