4-[[2-azanyl-5-[2-(4-pentylphenyl)ethynyl]pyrimidin-4-yl]amino]cyclohexan-1-ol

Systemtic Name: 4-[[2-azanyl-5-[2-(4-pentylphenyl)ethynyl]pyrimidin-4-yl]amino]cyclohexan-1-ol Openeye Name: 4-[[2-amino-5-[2-(4-pentylphenyl)ethynyl]pyrimidin-4-yl]amino]cyclohexanol CAS Name: 4-[[2-amino-5-[2-(4-pentylphenyl)ethynyl]-4-pyrimidinyl]amino]-1-cyclohexanol IUPAC Name: 4-[[2-amino-5-[2-(4-pentylphenyl)ethynyl]pyrimidin-4-yl]amino]cyclohexan-1-ol Traditional Name: 4-[[2-amino-5-[2-(4-amylphenyl)ethynyl]pyrimidin-4-yl]amino]cyclohexanol Formula: C23H30N4O MolecularWeight: 378.5105

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C#CC2=CN=C(N=C2NC3CCC(CC3)O)N

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C#CC2=CN=C(N=C2NC3CCC(CC3)O)N

InChI

InChI=1S/C23H30N4O/c1-2-3-4-5-17-6-8-18(9-7-17)10-11-19-16-25-23(24)27-22(19)26-20-12-14-21(28)15-13-20/h6-9,16,20-21,28H,2-5,12-15H2,1H3,(H3,24,25,26,27)