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

Systemtic Name: 2-[2-(aminomethyl)-6-(phenethylamino)purin-9-yl]-5-(methoxymethyl)oxolane-3,4-diol Openeye Name: 2-[2-(aminomethyl)-6-(phenethylamino)purin-9-yl]-5-(methoxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[2-(aminomethyl)-6-(phenethylamino)-9-purinyl]-5-(methoxymethyl)oxolane-3,4-diol IUPAC Name: 2-[2-(aminomethyl)-6-(phenethylamino)purin-9-yl]-5-(methoxymethyl)oxolane-3,4-diol Traditional Name: 2-[2-(aminomethyl)-6-(phenethylamino)purin-9-yl]-5-(methoxymethyl)tetrahydrofuran-3,4-diol Formula: C20H26N6O4 MolecularWeight: 414.45824

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Descriptors Computed from Structure

Canonical SMILES:

COCC1C(C(C(O1)N2C=NC3=C2N=C(N=C3NCCC4=CC=CC=C4)CN)O)O

Isomeric SMILES

COCC1C(C(C(O1)N2C=NC3=C2N=C(N=C3NCCC4=CC=CC=C4)CN)O)O

InChI

InChI=1S/C20H26N6O4/c1-29-10-13-16(27)17(28)20(30-13)26-11-23-15-18(24-14(9-21)25-19(15)26)22-8-7-12-5-3-2-4-6-12/h2-6,11,13,16-17,20,27-28H,7-10,21H2,1H3,(H,22,24,25)