2-[6-azanyl-2-[ethyl(2-phenylpropyl)amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Systemtic Name: 2-[6-azanyl-2-[ethyl(2-phenylpropyl)amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[6-amino-2-[ethyl(2-phenylpropyl)amino]purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[6-amino-2-[ethyl(2-phenylpropyl)amino]-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-[6-amino-2-[ethyl(2-phenylpropyl)amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-amino-2-[ethyl(2-phenylpropyl)amino]purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C21H28N6O4 MolecularWeight: 428.48482

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(C)C1=CC=CC=C1)C2=NC3=C(C(=N2)N)N=CN3C4C(C(C(O4)CO)O)O

Isomeric SMILES

CCN(CC(C)C1=CC=CC=C1)C2=NC3=C(C(=N2)N)N=CN3C4C(C(C(O4)CO)O)O

InChI

InChI=1S/C21H28N6O4/c1-3-26(9-12(2)13-7-5-4-6-8-13)21-24-18(22)15-19(25-21)27(11-23-15)20-17(30)16(29)14(10-28)31-20/h4-8,11-12,14,16-17,20,28-30H,3,9-10H2,1-2H3,(H2,22,24,25)