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

Systemtic Name: 5-ethynyl-2-[(2-methylphenyl)amino]-2-purin-9-yl-oxolane-3,4-diol Openeye Name: 5-ethynyl-2-(2-methylanilino)-2-purin-9-yl-tetrahydrofuran-3,4-diol CAS Name: 5-ethynyl-2-(2-methylanilino)-2-(9-purinyl)oxolane-3,4-diol IUPAC Name: 5-ethynyl-2-(2-methylanilino)-2-purin-9-yloxolane-3,4-diol Traditional Name: 5-ethynyl-2-(o-toluidino)-2-purin-9-yl-tetrahydrofuran-3,4-diol Formula: C18H17N5O3 MolecularWeight: 351.35928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2(C(C(C(O2)C#C)O)O)N3C=NC4=CN=CN=C43

Isomeric SMILES

CC1=CC=CC=C1NC2(C(C(C(O2)C#C)O)O)N3C=NC4=CN=CN=C43

InChI

InChI=1S/C18H17N5O3/c1-3-14-15(24)16(25)18(26-14,22-12-7-5-4-6-11(12)2)23-10-21-13-8-19-9-20-17(13)23/h1,4-10,14-16,22,24-25H,2H3