2-[2-(2-methylphenyl)ethyl]-5-[6-(oxolan-3-ylamino)purin-9-yl]oxolane-3,4-diol

Systemtic Name: 2-[2-(2-methylphenyl)ethyl]-5-[6-(oxolan-3-ylamino)purin-9-yl]oxolane-3,4-diol Openeye Name: 2-[2-(o-tolyl)ethyl]-5-[6-(tetrahydrofuran-3-ylamino)purin-9-yl]tetrahydrofuran-3,4-diol CAS Name: 2-[2-(2-methylphenyl)ethyl]-5-[6-(3-oxolanylamino)-9-purinyl]oxolane-3,4-diol IUPAC Name: 2-[2-(2-methylphenyl)ethyl]-5-[6-(oxolan-3-ylamino)purin-9-yl]oxolane-3,4-diol Traditional Name: 2-[2-(o-tolyl)ethyl]-5-[6-(tetrahydrofuran-3-ylamino)purin-9-yl]tetrahydrofuran-3,4-diol Formula: C22H27N5O4 MolecularWeight: 425.48088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCC2C(C(C(O2)N3C=NC4=C3N=CN=C4NC5CCOC5)O)O

Isomeric SMILES

CC1=CC=CC=C1CCC2C(C(C(O2)N3C=NC4=C3N=CN=C4NC5CCOC5)O)O

InChI

InChI=1S/C22H27N5O4/c1-13-4-2-3-5-14(13)6-7-16-18(28)19(29)22(31-16)27-12-25-17-20(23-11-24-21(17)27)26-15-8-9-30-10-15/h2-5,11-12,15-16,18-19,22,28-29H,6-10H2,1H3,(H,23,24,26)