3-[6-[[(2R)-1-phenylpropan-2-yl]amino]purin-9-yl]cyclohexane-1,2-diol

Systemtic Name: 3-[6-[[(2R)-1-phenylpropan-2-yl]amino]purin-9-yl]cyclohexane-1,2-diol Openeye Name: 3-[6-[[(1R)-1-methyl-2-phenyl-ethyl]amino]purin-9-yl]cyclohexane-1,2-diol CAS Name: 3-[6-[[(2R)-1-phenylpropan-2-yl]amino]-9-purinyl]cyclohexane-1,2-diol IUPAC Name: 3-[6-[[(2R)-1-phenylpropan-2-yl]amino]purin-9-yl]cyclohexane-1,2-diol Traditional Name: 3-[6-[[(1R)-1-methyl-2-phenyl-ethyl]amino]purin-9-yl]cyclohexane-1,2-diol Formula: C20H25N5O2 MolecularWeight: 367.4448

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)NC2=NC=NC3=C2N=CN3C4CCCC(C4O)O

Isomeric SMILES

C[C@H](CC1=CC=CC=C1)NC2=NC=NC3=C2N=CN3C4CCCC(C4O)O

InChI

InChI=1S/C20H25N5O2/c1-13(10-14-6-3-2-4-7-14)24-19-17-20(22-11-21-19)25(12-23-17)15-8-5-9-16(26)18(15)27/h2-4,6-7,11-13,15-16,18,26-27H,5,8-10H2,1H3,(H,21,22,24)/t13-,15?,16?,18?/m1/s1