2-(6-aminopurin-9-yl)-5-[[(7,8-dimethyl-3,4-dihydro-2H-chromen-3-yl)amino]oxymethyl]oxolane-3,4-diol

Systemtic Name: 2-(6-aminopurin-9-yl)-5-[[(7,8-dimethyl-3,4-dihydro-2H-chromen-3-yl)amino]oxymethyl]oxolane-3,4-diol Openeye Name: 2-(6-aminopurin-9-yl)-5-[[(7,8-dimethylchroman-3-yl)amino]oxymethyl]tetrahydrofuran-3,4-diol CAS Name: 2-(6-aminopurin-9-yl)-5-[[(7,8-dimethyl-3,4-dihydro-2H-1-benzopyran-3-yl)amino]oxymethyl]oxolane-3,4-diol IUPAC Name: 2-(6-aminopurin-9-yl)-5-[[(7,8-dimethyl-3,4-dihydro-2H-chromen-3-yl)amino]oxymethyl]oxolane-3,4-diol Traditional Name: 2-adenin-9-yl-5-[[(7,8-dimethylchroman-3-yl)amino]oxymethyl]tetrahydrofuran-3,4-diol Formula: C21H26N6O5 MolecularWeight: 442.46834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(CC(CO2)NOCC3C(C(C(O3)N4C=NC5=C4N=CN=C5N)O)O)C=C1)C

Isomeric SMILES

CC1=C(C2=C(CC(CO2)NOCC3C(C(C(O3)N4C=NC5=C4N=CN=C5N)O)O)C=C1)C

InChI

InChI=1S/C21H26N6O5/c1-10-3-4-12-5-13(6-30-18(12)11(10)2)26-31-7-14-16(28)17(29)21(32-14)27-9-25-15-19(22)23-8-24-20(15)27/h3-4,8-9,13-14,16-17,21,26,28-29H,5-7H2,1-2H3,(H2,22,23,24)