N5-methyl-N5-[(2-methylphenyl)methyl]-6-[2-(6-morpholin-4-ylpyridin-3-yl)ethynyl]pyrimidine-4,5-diamine

Systemtic Name: N5-methyl-N5-[(2-methylphenyl)methyl]-6-[2-(6-morpholin-4-ylpyridin-3-yl)ethynyl]pyrimidine-4,5-diamine Openeye Name: N5-methyl-6-[2-(6-morpholino-3-pyridyl)ethynyl]-N5-(o-tolylmethyl)pyrimidine-4,5-diamine CAS Name: N5-methyl-N5-[(2-methylphenyl)methyl]-6-[2-[6-(4-morpholinyl)-3-pyridinyl]ethynyl]pyrimidine-4,5-diamine IUPAC Name: 5-N-methyl-5-N-[(2-methylphenyl)methyl]-6-[2-(6-morpholin-4-ylpyridin-3-yl)ethynyl]pyrimidine-4,5-diamine Traditional Name: [4-amino-6-[2-(6-morpholino-3-pyridyl)ethynyl]pyrimidin-5-yl]-methyl-(2-methylbenzyl)amine Formula: C24H26N6O MolecularWeight: 414.50284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN(C)C2=C(N=CN=C2N)C#CC3=CN=C(C=C3)N4CCOCC4

Isomeric SMILES

CC1=CC=CC=C1CN(C)C2=C(N=CN=C2N)C#CC3=CN=C(C=C3)N4CCOCC4

InChI

InChI=1S/C24H26N6O/c1-18-5-3-4-6-20(18)16-29(2)23-21(27-17-28-24(23)25)9-7-19-8-10-22(26-15-19)30-11-13-31-14-12-30/h3-6,8,10,15,17H,11-14,16H2,1-2H3,(H2,25,27,28)