5-[4-methoxy-5-(2-phenylethynyl)-2-propan-2-yl-phenoxy]pyrimidine-2,4-diamine

Systemtic Name: 5-[4-methoxy-5-(2-phenylethynyl)-2-propan-2-yl-phenoxy]pyrimidine-2,4-diamine Openeye Name: 5-[2-isopropyl-4-methoxy-5-(2-phenylethynyl)phenoxy]pyrimidine-2,4-diamine CAS Name: 5-[4-methoxy-5-(2-phenylethynyl)-2-propan-2-ylphenoxy]pyrimidine-2,4-diamine IUPAC Name: 5-[4-methoxy-5-(2-phenylethynyl)-2-propan-2-ylphenoxy]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[2-isopropyl-4-methoxy-5-(2-phenylethynyl)phenoxy]pyrimidin-4-yl]amine Formula: C22H22N4O2 MolecularWeight: 374.43568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=C(C(=C1)OC)C#CC2=CC=CC=C2)OC3=CN=C(N=C3N)N

Isomeric SMILES

CC(C)C1=C(C=C(C(=C1)OC)C#CC2=CC=CC=C2)OC3=CN=C(N=C3N)N

InChI

InChI=1S/C22H22N4O2/c1-14(2)17-12-18(27-3)16(10-9-15-7-5-4-6-8-15)11-19(17)28-20-13-25-22(24)26-21(20)23/h4-8,11-14H,1-3H3,(H4,23,24,25,26)