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

Systemtic Name: 2-(6-aminopurin-9-yl)-5-(5,5-diphenylpentoxymethyl)oxolane-3,4-diol Openeye Name: 2-(6-aminopurin-9-yl)-5-(5,5-diphenylpentoxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-(6-aminopurin-9-yl)-5-(5,5-diphenylpentoxymethyl)oxolane-3,4-diol IUPAC Name: 2-(6-aminopurin-9-yl)-5-(5,5-diphenylpentoxymethyl)oxolane-3,4-diol Traditional Name: 2-adenin-9-yl-5-(5,5-diphenylpentoxymethyl)tetrahydrofuran-3,4-diol Formula: C27H31N5O4 MolecularWeight: 489.56614

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCCCOCC2C(C(C(O2)N3C=NC4=C3N=CN=C4N)O)O)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C(CCCCOCC2C(C(C(O2)N3C=NC4=C3N=CN=C4N)O)O)C5=CC=CC=C5

InChI

InChI=1S/C27H31N5O4/c28-25-22-26(30-16-29-25)32(17-31-22)27-24(34)23(33)21(36-27)15-35-14-8-7-13-20(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-6,9-12,16-17,20-21,23-24,27,33-34H,7-8,13-15H2,(H2,28,29,30)