3-[[3-chloranyl-2-ethyl-4-(4-propan-2-ylphenoxy)phenyl]methyl]-4H-pyrimidin-2-amine

Systemtic Name: 3-[[3-chloranyl-2-ethyl-4-(4-propan-2-ylphenoxy)phenyl]methyl]-4H-pyrimidin-2-amine Openeye Name: 3-[[3-chloro-2-ethyl-4-(4-isopropylphenoxy)phenyl]methyl]-4H-pyrimidin-2-amine CAS Name: 3-[[3-chloro-2-ethyl-4-(4-propan-2-ylphenoxy)phenyl]methyl]-4H-pyrimidin-2-amine IUPAC Name: 3-[[3-chloro-2-ethyl-4-(4-propan-2-ylphenoxy)phenyl]methyl]-4H-pyrimidin-2-amine Traditional Name: [3-[3-chloro-2-ethyl-4-(4-isopropylphenoxy)benzyl]-4H-pyrimidin-2-yl]amine Formula: C22H26ClN3O MolecularWeight: 383.91434

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1Cl)OC2=CC=C(C=C2)C(C)C)CN3CC=CN=C3N

Isomeric SMILES

CCC1=C(C=CC(=C1Cl)OC2=CC=C(C=C2)C(C)C)CN3CC=CN=C3N

InChI

InChI=1S/C22H26ClN3O/c1-4-19-17(14-26-13-5-12-25-22(26)24)8-11-20(21(19)23)27-18-9-6-16(7-10-18)15(2)3/h5-12,15H,4,13-14H2,1-3H3,(H2,24,25)