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

Systemtic Name: N5-(3-bromophenyl)-N5-methyl-6-[2-(6-morpholin-4-ylpyridin-3-yl)ethynyl]pyrimidine-4,5-diamine Openeye Name: N5-(3-bromophenyl)-N5-methyl-6-[2-(6-morpholino-3-pyridyl)ethynyl]pyrimidine-4,5-diamine CAS Name: N5-(3-bromophenyl)-N5-methyl-6-[2-[6-(4-morpholinyl)-3-pyridinyl]ethynyl]pyrimidine-4,5-diamine IUPAC Name: 5-N-(3-bromophenyl)-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-bromophenyl)-methyl-amine Formula: C22H21BrN6O MolecularWeight: 465.34574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21BrN6O/c1-28(18-4-2-3-17(23)13-18)21-19(26-15-27-22(21)24)7-5-16-6-8-20(25-14-16)29-9-11-30-12-10-29/h2-4,6,8,13-15H,9-12H2,1H3,(H2,24,26,27)