2-(6-aminopurin-9-yl)-5-[(2-butylphenyl)-ethylperoxy-methyl]oxolane-3,4-diol

Systemtic Name: 2-(6-aminopurin-9-yl)-5-[(2-butylphenyl)-ethylperoxy-methyl]oxolane-3,4-diol Openeye Name: 2-(6-aminopurin-9-yl)-5-[(2-butylphenyl)-ethylperoxy-methyl]tetrahydrofuran-3,4-diol CAS Name: 2-(6-aminopurin-9-yl)-5-[(2-butylphenyl)-ethyldioxymethyl]oxolane-3,4-diol IUPAC Name: 2-(6-aminopurin-9-yl)-5-[(2-butylphenyl)-ethylperoxymethyl]oxolane-3,4-diol Traditional Name: 2-adenin-9-yl-5-[(2-butylphenyl)-ethylperoxy-methyl]tetrahydrofuran-3,4-diol Formula: C22H29N5O5 MolecularWeight: 443.49616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC=C1C(C2C(C(C(O2)N3C=NC4=C3N=CN=C4N)O)O)OOCC

Isomeric SMILES

CCCCC1=CC=CC=C1C(C2C(C(C(O2)N3C=NC4=C3N=CN=C4N)O)O)OOCC

InChI

InChI=1S/C22H29N5O5/c1-3-5-8-13-9-6-7-10-14(13)18(32-30-4-2)19-16(28)17(29)22(31-19)27-12-26-15-20(23)24-11-25-21(15)27/h6-7,9-12,16-19,22,28-29H,3-5,8H2,1-2H3,(H2,23,24,25)