1-[2-oxidanyl-1-[6-[[(2R)-1-phenylpropan-2-yl]amino]purin-9-yl]ethoxy]ethane-1,2-diol

Systemtic Name: 1-[2-oxidanyl-1-[6-[[(2R)-1-phenylpropan-2-yl]amino]purin-9-yl]ethoxy]ethane-1,2-diol Openeye Name: 1-[2-hydroxy-1-[6-[[(1R)-1-methyl-2-phenyl-ethyl]amino]purin-9-yl]ethoxy]ethane-1,2-diol CAS Name: 1-[2-hydroxy-1-[6-[[(2R)-1-phenylpropan-2-yl]amino]-9-purinyl]ethoxy]ethane-1,2-diol IUPAC Name: 1-[2-hydroxy-1-[6-[[(2R)-1-phenylpropan-2-yl]amino]purin-9-yl]ethoxy]ethane-1,2-diol Traditional Name: 1-[2-hydroxy-1-[6-[[(1R)-1-methyl-2-phenyl-ethyl]amino]purin-9-yl]ethoxy]ethane-1,2-diol Formula: C18H23N5O4 MolecularWeight: 373.40632

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)NC2=NC=NC3=C2N=CN3C(CO)OC(CO)O

Isomeric SMILES

C[C@H](CC1=CC=CC=C1)NC2=NC=NC3=C2N=CN3C(CO)OC(CO)O

InChI

InChI=1S/C18H23N5O4/c1-12(7-13-5-3-2-4-6-13)22-17-16-18(20-10-19-17)23(11-21-16)14(8-24)27-15(26)9-25/h2-6,10-12,14-15,24-26H,7-9H2,1H3,(H,19,20,22)/t12-,14?,15?/m1/s1