(2R,3S)-3-[6-(cyclohexylamino)-2-phenyl-purin-9-yl]heptan-2-ol

Systemtic Name: (2R,3S)-3-[6-(cyclohexylamino)-2-phenyl-purin-9-yl]heptan-2-ol Openeye Name: (2R,3S)-3-[6-(cyclohexylamino)-2-phenyl-purin-9-yl]heptan-2-ol CAS Name: (2R,3S)-3-[6-(cyclohexylamino)-2-phenyl-9-purinyl]-2-heptanol IUPAC Name: (2R,3S)-3-[6-(cyclohexylamino)-2-phenylpurin-9-yl]heptan-2-ol Traditional Name: (2R,3S)-3-[6-(cyclohexylamino)-2-phenyl-purin-9-yl]heptan-2-ol Formula: C24H33N5O MolecularWeight: 407.55172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(C)O)N1C=NC2=C1N=C(N=C2NC3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

CCCC[C@@H]([C@@H](C)O)N1C=NC2=C1N=C(N=C2NC3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C24H33N5O/c1-3-4-15-20(17(2)30)29-16-25-21-23(26-19-13-9-6-10-14-19)27-22(28-24(21)29)18-11-7-5-8-12-18/h5,7-8,11-12,16-17,19-20,30H,3-4,6,9-10,13-15H2,1-2H3,(H,26,27,28)/t17-,20+/m1/s1