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

Systemtic Name: 2-(6-aminopurin-9-yl)-5-(4,4-diphenylbutoxymethyl)oxolane-3,4-diol Openeye Name: 2-(6-aminopurin-9-yl)-5-(4,4-diphenylbutoxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-(6-aminopurin-9-yl)-5-(4,4-diphenylbutoxymethyl)oxolane-3,4-diol IUPAC Name: 2-(6-aminopurin-9-yl)-5-(4,4-diphenylbutoxymethyl)oxolane-3,4-diol Traditional Name: 2-adenin-9-yl-5-(4,4-diphenylbutoxymethyl)tetrahydrofuran-3,4-diol Formula: C26H29N5O4 MolecularWeight: 475.53956

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCCOCC2C(C(C(O2)N3C=NC4=C3N=CN=C4N)O)O)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C(CCCOCC2C(C(C(O2)N3C=NC4=C3N=CN=C4N)O)O)C5=CC=CC=C5

InChI

InChI=1S/C26H29N5O4/c27-24-21-25(29-15-28-24)31(16-30-21)26-23(33)22(32)20(35-26)14-34-13-7-12-19(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-11,15-16,19-20,22-23,26,32-33H,7,12-14H2,(H2,27,28,29)