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

Systemtic Name: 2-(hydroxymethyl)-5-[6-(3-methylbut-2-enylamino)purin-9-yl]oxolane-3,4-diol hydrate Openeye Name: 2-(hydroxymethyl)-5-[6-(3-methylbut-2-enylamino)purin-9-yl]tetrahydrofuran-3,4-diol hydrate CAS Name: 2-(hydroxymethyl)-5-[6-(3-methylbut-2-enylamino)-9-purinyl]oxolane-3,4-diol hydrate IUPAC Name: 2-(hydroxymethyl)-5-[6-(3-methylbut-2-enylamino)purin-9-yl]oxolane-3,4-diol hydrate Traditional Name: 2-[6-(3-methylbut-2-enylamino)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol hydrate Formula: C30H44N10O9 MolecularWeight: 688.73196

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCNC1=NC=NC2=C1N=CN2C3C(C(C(O3)CO)O)O)C.CC(=CCNC1=NC=NC2=C1N=CN2C3C(C(C(O3)CO)O)O)C.O

Isomeric SMILES

CC(=CCNC1=NC=NC2=C1N=CN2C3C(C(C(O3)CO)O)O)C.CC(=CCNC1=NC=NC2=C1N=CN2C3C(C(C(O3)CO)O)O)C.O

InChI

InChI=1S/2C15H21N5O4.H2O/c2*1-8(2)3-4-16-13-10-14(18-6-17-13)20(7-19-10)15-12(23)11(22)9(5-21)24-15;/h2*3,6-7,9,11-12,15,21-23H,4-5H2,1-2H3,(H,16,17,18);1H2