2-(hydroxymethyl)-5-[2-phenylazanyl-6-(1-phenylpropan-2-ylamino)purin-9-yl]oxolane-3,4-diol

Systemtic Name: 2-(hydroxymethyl)-5-[2-phenylazanyl-6-(1-phenylpropan-2-ylamino)purin-9-yl]oxolane-3,4-diol Openeye Name: 2-[2-anilino-6-[(1-methyl-2-phenyl-ethyl)amino]purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[2-anilino-6-(1-phenylpropan-2-ylamino)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-[2-anilino-6-(1-phenylpropan-2-ylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[2-anilino-6-[(1-methyl-2-phenyl-ethyl)amino]purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C25H28N6O4 MolecularWeight: 476.52762

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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)O)NC5=CC=CC=C5

Isomeric SMILES

CC(CC1=CC=CC=C1)NC2=NC(=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)NC5=CC=CC=C5

InChI

InChI=1S/C25H28N6O4/c1-15(12-16-8-4-2-5-9-16)27-22-19-23(30-25(29-22)28-17-10-6-3-7-11-17)31(14-26-19)24-21(34)20(33)18(13-32)35-24/h2-11,14-15,18,20-21,24,32-34H,12-13H2,1H3,(H2,27,28,29,30)