2-[6-azanyl-2-[(3-methylphenyl)amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Systemtic Name: 2-[6-azanyl-2-[(3-methylphenyl)amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[6-amino-2-(3-methylanilino)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[6-amino-2-(3-methylanilino)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-[6-amino-2-(3-methylanilino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-amino-2-(m-toluidino)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C17H20N6O4 MolecularWeight: 372.3785

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC3=C(C(=N2)N)N=CN3C4C(C(C(O4)CO)O)O

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC3=C(C(=N2)N)N=CN3C4C(C(C(O4)CO)O)O

InChI

InChI=1S/C17H20N6O4/c1-8-3-2-4-9(5-8)20-17-21-14(18)11-15(22-17)23(7-19-11)16-13(26)12(25)10(6-24)27-16/h2-5,7,10,12-13,16,24-26H,6H2,1H3,(H3,18,20,21,22)