N4-(5-methoxy-2-methyl-phenyl)-N4-methyl-N2-[3-(4-methylpiperazin-1-yl)-5-morpholin-4-yl-phenyl]pyrimidine-2,4-diamine

Systemtic Name: N4-(5-methoxy-2-methyl-phenyl)-N4-methyl-N2-[3-(4-methylpiperazin-1-yl)-5-morpholin-4-yl-phenyl]pyrimidine-2,4-diamine Openeye Name: N4-(5-methoxy-2-methyl-phenyl)-N4-methyl-N2-[3-(4-methylpiperazin-1-yl)-5-morpholino-phenyl]pyrimidine-2,4-diamine CAS Name: N4-(5-methoxy-2-methylphenyl)-N4-methyl-N2-[3-(4-methyl-1-piperazinyl)-5-(4-morpholinyl)phenyl]pyrimidine-2,4-diamine IUPAC Name: 4-N-(5-methoxy-2-methylphenyl)-4-N-methyl-2-N-[3-(4-methylpiperazin-1-yl)-5-morpholin-4-ylphenyl]pyrimidine-2,4-diamine Traditional Name: (5-methoxy-2-methyl-phenyl)-methyl-[2-[3-(4-methylpiperazino)-5-morpholino-anilino]pyrimidin-4-yl]amine Formula: C28H37N7O2 MolecularWeight: 503.63908

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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)N5CCN(CC5)C

Isomeric SMILES

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

InChI

InChI=1S/C28H37N7O2/c1-21-5-6-25(36-4)20-26(21)33(3)27-7-8-29-28(31-27)30-22-17-23(34-11-9-32(2)10-12-34)19-24(18-22)35-13-15-37-16-14-35/h5-8,17-20H,9-16H2,1-4H3,(H,29,30,31)