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

Systemtic Name: 2-[6-(cyclohexylamino)-2-phenylazanyl-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[2-anilino-6-(cyclohexylamino)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[2-anilino-6-(cyclohexylamino)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-[2-anilino-6-(cyclohexylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[2-anilino-6-(cyclohexylamino)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C22H28N6O4 MolecularWeight: 440.49552

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=NC(=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)NC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)NC2=NC(=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)NC5=CC=CC=C5

InChI

InChI=1S/C22H28N6O4/c29-11-15-17(30)18(31)21(32-15)28-12-23-16-19(24-13-7-3-1-4-8-13)26-22(27-20(16)28)25-14-9-5-2-6-10-14/h2,5-6,9-10,12-13,15,17-18,21,29-31H,1,3-4,7-8,11H2,(H2,24,25,26,27)