2-(6-aminopurin-9-yl)-5-(3,3-diphenylpropoxymethyl)oxolane-3,4-diol

Systemtic Name: 2-(6-aminopurin-9-yl)-5-(3,3-diphenylpropoxymethyl)oxolane-3,4-diol Openeye Name: 2-(6-aminopurin-9-yl)-5-(3,3-diphenylpropoxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-(6-aminopurin-9-yl)-5-(3,3-diphenylpropoxymethyl)oxolane-3,4-diol IUPAC Name: 2-(6-aminopurin-9-yl)-5-(3,3-diphenylpropoxymethyl)oxolane-3,4-diol Traditional Name: 2-adenin-9-yl-5-(3,3-diphenylpropoxymethyl)tetrahydrofuran-3,4-diol Formula: C25H27N5O4 MolecularWeight: 461.51298

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCOCC2C(C(C(O2)N3C=NC4=C3N=CN=C4N)O)O)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C(CCOCC2C(C(C(O2)N3C=NC4=C3N=CN=C4N)O)O)C5=CC=CC=C5

InChI

InChI=1S/C25H27N5O4/c26-23-20-24(28-14-27-23)30(15-29-20)25-22(32)21(31)19(34-25)13-33-12-11-18(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,14-15,18-19,21-22,25,31-32H,11-13H2,(H2,26,27,28)