4-[2-(2-azanylpyrimidin-5-yl)ethynyl]-4-(3-cyclopentyloxy-4-methoxy-phenyl)cyclohexan-1-ol

Systemtic Name: 4-[2-(2-azanylpyrimidin-5-yl)ethynyl]-4-(3-cyclopentyloxy-4-methoxy-phenyl)cyclohexan-1-ol Openeye Name: 4-[2-(2-aminopyrimidin-5-yl)ethynyl]-4-[3-(cyclopentoxy)-4-methoxy-phenyl]cyclohexanol CAS Name: 4-[2-(2-amino-5-pyrimidinyl)ethynyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-cyclohexanol IUPAC Name: 4-[2-(2-aminopyrimidin-5-yl)ethynyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexan-1-ol Traditional Name: 4-[2-(2-aminopyrimidin-5-yl)ethynyl]-4-[3-(cyclopentoxy)-4-methoxy-phenyl]cyclohexanol Formula: C24H29N3O3 MolecularWeight: 407.50536

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(CCC(CC2)O)C#CC3=CN=C(N=C3)N)OC4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C2(CCC(CC2)O)C#CC3=CN=C(N=C3)N)OC4CCCC4

InChI

InChI=1S/C24H29N3O3/c1-29-21-7-6-18(14-22(21)30-20-4-2-3-5-20)24(12-9-19(28)10-13-24)11-8-17-15-26-23(25)27-16-17/h6-7,14-16,19-20,28H,2-5,9-10,12-13H2,1H3,(H2,25,26,27)