4-[4-(2-azanylpyrimidin-5-yl)phenyl]-4-(3-cyclopropyloxy-4-methoxy-phenyl)cyclohexan-1-one

Systemtic Name: 4-[4-(2-azanylpyrimidin-5-yl)phenyl]-4-(3-cyclopropyloxy-4-methoxy-phenyl)cyclohexan-1-one Openeye Name: 4-[4-(2-aminopyrimidin-5-yl)phenyl]-4-[3-(cyclopropoxy)-4-methoxy-phenyl]cyclohexanone CAS Name: 4-[4-(2-amino-5-pyrimidinyl)phenyl]-4-(3-cyclopropyloxy-4-methoxyphenyl)-1-cyclohexanone IUPAC Name: 4-[4-(2-aminopyrimidin-5-yl)phenyl]-4-(3-cyclopropyloxy-4-methoxyphenyl)cyclohexan-1-one Traditional Name: 4-[4-(2-aminopyrimidin-5-yl)phenyl]-4-[3-(cyclopropoxy)-4-methoxy-phenyl]cyclohexanone Formula: C26H27N3O3 MolecularWeight: 429.51088

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(CCC(=O)CC2)C3=CC=C(C=C3)C4=CN=C(N=C4)N)OC5CC5

Isomeric SMILES

COC1=C(C=C(C=C1)C2(CCC(=O)CC2)C3=CC=C(C=C3)C4=CN=C(N=C4)N)OC5CC5

InChI

InChI=1S/C26H27N3O3/c1-31-23-9-6-20(14-24(23)32-22-7-8-22)26(12-10-21(30)11-13-26)19-4-2-17(3-5-19)18-15-28-25(27)29-16-18/h2-6,9,14-16,22H,7-8,10-13H2,1H3,(H2,27,28,29)