2-[6-(4,4-diphenylbutylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Systemtic Name: 2-[6-(4,4-diphenylbutylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[6-(4,4-diphenylbutylamino)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[6-(4,4-diphenylbutylamino)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-[6-(4,4-diphenylbutylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-(4,4-diphenylbutylamino)purin-9-yl]-5-methylol-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(CCCNC2=NC=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C(CCCNC2=NC=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)C5=CC=CC=C5

InChI

InChI=1S/C26H29N5O4/c32-14-20-22(33)23(34)26(35-20)31-16-30-21-24(28-15-29-25(21)31)27-13-7-12-19(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-11,15-16,19-20,22-23,26,32-34H,7,12-14H2,(H,27,28,29)