5-[6-[[(2R)-1-phenylpropan-2-yl]amino]purin-9-yl]pentane-1,2,3,4-tetrol

Systemtic Name: 5-[6-[[(2R)-1-phenylpropan-2-yl]amino]purin-9-yl]pentane-1,2,3,4-tetrol Openeye Name: 5-[6-[[(1R)-1-methyl-2-phenyl-ethyl]amino]purin-9-yl]pentane-1,2,3,4-tetrol CAS Name: 5-[6-[[(2R)-1-phenylpropan-2-yl]amino]-9-purinyl]pentane-1,2,3,4-tetrol IUPAC Name: 5-[6-[[(2R)-1-phenylpropan-2-yl]amino]purin-9-yl]pentane-1,2,3,4-tetrol Traditional Name: 5-[6-[[(1R)-1-methyl-2-phenyl-ethyl]amino]purin-9-yl]pentane-1,2,3,4-tetrol Formula: C19H25N5O4 MolecularWeight: 387.4329

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)NC2=NC=NC3=C2N=CN3CC(C(C(CO)O)O)O

Isomeric SMILES

C[C@H](CC1=CC=CC=C1)NC2=NC=NC3=C2N=CN3CC(C(C(CO)O)O)O

InChI

InChI=1S/C19H25N5O4/c1-12(7-13-5-3-2-4-6-13)23-18-16-19(21-10-20-18)24(11-22-16)8-14(26)17(28)15(27)9-25/h2-6,10-12,14-15,17,25-28H,7-9H2,1H3,(H,20,21,23)/t12-,14?,15?,17?/m1/s1