(1S,3R)-3-methyl-1-[2-[6-(pentan-3-ylamino)-9-pent-4-ynyl-purin-2-yl]ethynyl]cyclohexan-1-ol

Systemtic Name: (1S,3R)-3-methyl-1-[2-[6-(pentan-3-ylamino)-9-pent-4-ynyl-purin-2-yl]ethynyl]cyclohexan-1-ol Openeye Name: (1S,3R)-1-[2-[6-(1-ethylpropylamino)-9-pent-4-ynyl-purin-2-yl]ethynyl]-3-methyl-cyclohexanol CAS Name: (1S,3R)-3-methyl-1-[2-[6-(pentan-3-ylamino)-9-pent-4-ynyl-2-purinyl]ethynyl]-1-cyclohexanol IUPAC Name: (1S,3R)-3-methyl-1-[2-[6-(pentan-3-ylamino)-9-pent-4-ynylpurin-2-yl]ethynyl]cyclohexan-1-ol Traditional Name: (1S,3R)-1-[2-[6-(1-ethylpropylamino)-9-pent-4-ynyl-purin-2-yl]ethynyl]-3-methyl-cyclohexanol Formula: C24H33N5O MolecularWeight: 407.55172

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC1=NC(=NC2=C1N=CN2CCCC#C)C#CC3(CCCC(C3)C)O

Isomeric SMILES

CCC(CC)NC1=NC(=NC2=C1N=CN2CCCC#C)C#C[C@@]3(CCC[C@H](C3)C)O

InChI

InChI=1S/C24H33N5O/c1-5-8-9-15-29-17-25-21-22(26-19(6-2)7-3)27-20(28-23(21)29)12-14-24(30)13-10-11-18(4)16-24/h1,17-19,30H,6-11,13,15-16H2,2-4H3,(H,26,27,28)/t18-,24-/m1/s1