4-[4-(2-azanylpyrimidin-5-yl)phenyl]-4-(3-cyclopentyloxy-4-methoxy-phenyl)cyclohex-2-en-1-one

Systemtic Name: 4-[4-(2-azanylpyrimidin-5-yl)phenyl]-4-(3-cyclopentyloxy-4-methoxy-phenyl)cyclohex-2-en-1-one Openeye Name: 4-[4-(2-aminopyrimidin-5-yl)phenyl]-4-[3-(cyclopentoxy)-4-methoxy-phenyl]cyclohex-2-en-1-one CAS Name: 4-[4-(2-amino-5-pyrimidinyl)phenyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-cyclohex-2-enone IUPAC Name: 4-[4-(2-aminopyrimidin-5-yl)phenyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohex-2-en-1-one Traditional Name: 4-[4-(2-aminopyrimidin-5-yl)phenyl]-4-[3-(cyclopentoxy)-4-methoxy-phenyl]cyclohex-2-en-1-one Formula: C28H29N3O3 MolecularWeight: 455.54816

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(CCC(=O)C=C2)C3=CC=C(C=C3)C4=CN=C(N=C4)N)OC5CCCC5

Isomeric SMILES

COC1=C(C=C(C=C1)C2(CCC(=O)C=C2)C3=CC=C(C=C3)C4=CN=C(N=C4)N)OC5CCCC5

InChI

InChI=1S/C28H29N3O3/c1-33-25-11-10-22(16-26(25)34-24-4-2-3-5-24)28(14-12-23(32)13-15-28)21-8-6-19(7-9-21)20-17-30-27(29)31-18-20/h6-12,14,16-18,24H,2-5,13,15H2,1H3,(H2,29,30,31)