5-[4-methoxy-2-propan-2-yl-5-(2-pyridin-3-ylethynyl)phenoxy]pyrimidine-2,4-diamine

Systemtic Name: 5-[4-methoxy-2-propan-2-yl-5-(2-pyridin-3-ylethynyl)phenoxy]pyrimidine-2,4-diamine Openeye Name: 5-[2-isopropyl-4-methoxy-5-[2-(3-pyridyl)ethynyl]phenoxy]pyrimidine-2,4-diamine CAS Name: 5-[4-methoxy-2-propan-2-yl-5-[2-(3-pyridinyl)ethynyl]phenoxy]pyrimidine-2,4-diamine IUPAC Name: 5-[4-methoxy-2-propan-2-yl-5-(2-pyridin-3-ylethynyl)phenoxy]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[2-isopropyl-4-methoxy-5-[2-(3-pyridyl)ethynyl]phenoxy]pyrimidin-4-yl]amine Formula: C21H21N5O2 MolecularWeight: 375.42374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O2/c1-13(2)16-10-17(27-3)15(7-6-14-5-4-8-24-11-14)9-18(16)28-19-12-25-21(23)26-20(19)22/h4-5,8-13H,1-3H3,(H4,22,23,25,26)