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

Systemtic Name: N5-[(3-bromophenyl)methyl]-N5-methyl-6-[2-(6-morpholin-4-ylpyridin-3-yl)ethynyl]pyrimidine-4,5-diamine Openeye Name: N5-[(3-bromophenyl)methyl]-N5-methyl-6-[2-(6-morpholino-3-pyridyl)ethynyl]pyrimidine-4,5-diamine CAS Name: N5-[(3-bromophenyl)methyl]-N5-methyl-6-[2-[6-(4-morpholinyl)-3-pyridinyl]ethynyl]pyrimidine-4,5-diamine IUPAC Name: 5-N-[(3-bromophenyl)methyl]-5-N-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]-(3-bromobenzyl)-methyl-amine Formula: C23H23BrN6O MolecularWeight: 479.37232

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=CC=C1)Br)C2=C(N=CN=C2N)C#CC3=CN=C(C=C3)N4CCOCC4

Isomeric SMILES

CN(CC1=CC(=CC=C1)Br)C2=C(N=CN=C2N)C#CC3=CN=C(C=C3)N4CCOCC4

InChI

InChI=1S/C23H23BrN6O/c1-29(15-18-3-2-4-19(24)13-18)22-20(27-16-28-23(22)25)7-5-17-6-8-21(26-14-17)30-9-11-31-12-10-30/h2-4,6,8,13-14,16H,9-12,15H2,1H3,(H2,25,27,28)