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

Systemtic Name: N4-(5-methoxy-2-methyl-phenyl)-N4-methyl-N2-(3-morpholin-4-yl-5-piperazin-1-yl-phenyl)pyrimidine-2,4-diamine Openeye Name: N4-(5-methoxy-2-methyl-phenyl)-N4-methyl-N2-(3-morpholino-5-piperazin-1-yl-phenyl)pyrimidine-2,4-diamine CAS Name: N4-(5-methoxy-2-methylphenyl)-N4-methyl-N2-[3-(4-morpholinyl)-5-(1-piperazinyl)phenyl]pyrimidine-2,4-diamine IUPAC Name: 4-N-(5-methoxy-2-methylphenyl)-4-N-methyl-2-N-(3-morpholin-4-yl-5-piperazin-1-ylphenyl)pyrimidine-2,4-diamine Traditional Name: (5-methoxy-2-methyl-phenyl)-methyl-[2-(3-morpholino-5-piperazino-anilino)pyrimidin-4-yl]amine Formula: C27H35N7O2 MolecularWeight: 489.6125

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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)N5CCNCC5

Isomeric SMILES

CC1=C(C=C(C=C1)OC)N(C)C2=NC(=NC=C2)NC3=CC(=CC(=C3)N4CCOCC4)N5CCNCC5

InChI

InChI=1S/C27H35N7O2/c1-20-4-5-24(35-3)19-25(20)32(2)26-6-7-29-27(31-26)30-21-16-22(33-10-8-28-9-11-33)18-23(17-21)34-12-14-36-15-13-34/h4-7,16-19,28H,8-15H2,1-3H3,(H,29,30,31)