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

Systemtic Name: 2-[2-(aminomethyl)-6-(phenethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[2-(aminomethyl)-6-(phenethylamino)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[2-(aminomethyl)-6-(phenethylamino)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-[2-(aminomethyl)-6-(phenethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[2-(aminomethyl)-6-(phenethylamino)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C19H24N6O4 MolecularWeight: 400.43166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=NC(=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)CN

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=NC(=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)CN

InChI

InChI=1S/C19H24N6O4/c20-8-13-23-17(21-7-6-11-4-2-1-3-5-11)14-18(24-13)25(10-22-14)19-16(28)15(27)12(9-26)29-19/h1-5,10,12,15-16,19,26-28H,6-9,20H2,(H,21,23,24)