5-(hydroxymethyl)-3-methyl-2-[6-[[(2S)-1-phenylpropan-2-yl]amino]purin-9-yl]oxolane-3,4-diol

Systemtic Name: 5-(hydroxymethyl)-3-methyl-2-[6-[[(2S)-1-phenylpropan-2-yl]amino]purin-9-yl]oxolane-3,4-diol Openeye Name: 5-(hydroxymethyl)-3-methyl-2-[6-[[(1S)-1-methyl-2-phenyl-ethyl]amino]purin-9-yl]tetrahydrofuran-3,4-diol CAS Name: 5-(hydroxymethyl)-3-methyl-2-[6-[[(2S)-1-phenylpropan-2-yl]amino]-9-purinyl]oxolane-3,4-diol IUPAC Name: 5-(hydroxymethyl)-3-methyl-2-[6-[[(2S)-1-phenylpropan-2-yl]amino]purin-9-yl]oxolane-3,4-diol Traditional Name: 3-methyl-5-methylol-2-[6-[[(1S)-1-methyl-2-phenyl-ethyl]amino]purin-9-yl]tetrahydrofuran-3,4-diol Formula: C20H25N5O4 MolecularWeight: 399.4436

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)NC2=NC=NC3=C2N=CN3C4C(C(C(O4)CO)O)(C)O

Isomeric SMILES

C[C@@H](CC1=CC=CC=C1)NC2=NC=NC3=C2N=CN3C4C(C(C(O4)CO)O)(C)O

InChI

InChI=1S/C20H25N5O4/c1-12(8-13-6-4-3-5-7-13)24-17-15-18(22-10-21-17)25(11-23-15)19-20(2,28)16(27)14(9-26)29-19/h3-7,10-12,14,16,19,26-28H,8-9H2,1-2H3,(H,21,22,24)/t12-,14?,16?,19?,20?/m0/s1