(1S,3R)-3-methyl-1-[2-[6-(methylamino)-2-phenethyl-purin-2-yl]ethynyl]cyclohexan-1-ol

Systemtic Name: (1S,3R)-3-methyl-1-[2-[6-(methylamino)-2-phenethyl-purin-2-yl]ethynyl]cyclohexan-1-ol Openeye Name: (1S,3R)-3-methyl-1-[2-[6-(methylamino)-2-phenethyl-purin-2-yl]ethynyl]cyclohexanol CAS Name: (1S,3R)-3-methyl-1-[2-[6-(methylamino)-2-phenethyl-2-purinyl]ethynyl]-1-cyclohexanol IUPAC Name: (1S,3R)-3-methyl-1-[2-[6-(methylamino)-2-phenethylpurin-2-yl]ethynyl]cyclohexan-1-ol Traditional Name: (1S,3R)-3-methyl-1-[2-[6-(methylamino)-2-phenethyl-purin-2-yl]ethynyl]cyclohexanol Formula: C23H27N5O MolecularWeight: 389.49338

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)(C#CC2(N=C3C(=NC=N3)C(=N2)NC)CCC4=CC=CC=C4)O

Isomeric SMILES

C[C@@H]1CCC[C@](C1)(C#CC2(N=C3C(=NC=N3)C(=N2)NC)CCC4=CC=CC=C4)O

InChI

InChI=1S/C23H27N5O/c1-17-7-6-11-22(29,15-17)13-14-23(12-10-18-8-4-3-5-9-18)27-20(24-2)19-21(28-23)26-16-25-19/h3-5,8-9,16-17,29H,6-7,10-12,15H2,1-2H3,(H,24,27)/t17-,22-,23?/m1/s1