N4-(5-methoxy-2-methyl-phenyl)-N4-methyl-N2-[2-(4-methylpiperazin-1-yl)-6-morpholin-4-yl-pyridin-4-yl]pyrimidine-2,4-diamine

Systemtic Name: N4-(5-methoxy-2-methyl-phenyl)-N4-methyl-N2-[2-(4-methylpiperazin-1-yl)-6-morpholin-4-yl-pyridin-4-yl]pyrimidine-2,4-diamine Openeye Name: N4-(5-methoxy-2-methyl-phenyl)-N4-methyl-N2-[2-(4-methylpiperazin-1-yl)-6-morpholino-4-pyridyl]pyrimidine-2,4-diamine CAS Name: N4-(5-methoxy-2-methylphenyl)-N4-methyl-N2-[2-(4-methyl-1-piperazinyl)-6-(4-morpholinyl)-4-pyridinyl]pyrimidine-2,4-diamine IUPAC Name: 4-N-(5-methoxy-2-methylphenyl)-4-N-methyl-2-N-[2-(4-methylpiperazin-1-yl)-6-morpholin-4-ylpyridin-4-yl]pyrimidine-2,4-diamine Traditional Name: (5-methoxy-2-methyl-phenyl)-methyl-[2-[[2-(4-methylpiperazino)-6-morpholino-4-pyridyl]amino]pyrimidin-4-yl]amine Formula: C27H36N8O2 MolecularWeight: 504.62714

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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(=NC(=C3)N4CCOCC4)N5CCN(CC5)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC)N(C)C2=NC(=NC=C2)NC3=CC(=NC(=C3)N4CCOCC4)N5CCN(CC5)C

InChI

InChI=1S/C27H36N8O2/c1-20-5-6-22(36-4)19-23(20)33(3)24-7-8-28-27(31-24)29-21-17-25(34-11-9-32(2)10-12-34)30-26(18-21)35-13-15-37-16-14-35/h5-8,17-19H,9-16H2,1-4H3,(H,28,29,30,31)