5-ethynyl-2-(heptan-2-ylamino)-2-purin-9-yl-oxolane-3,4-diol

Systemtic Name: 5-ethynyl-2-(heptan-2-ylamino)-2-purin-9-yl-oxolane-3,4-diol Openeye Name: 5-ethynyl-2-(1-methylhexylamino)-2-purin-9-yl-tetrahydrofuran-3,4-diol CAS Name: 5-ethynyl-2-(heptan-2-ylamino)-2-(9-purinyl)oxolane-3,4-diol IUPAC Name: 5-ethynyl-2-(heptan-2-ylamino)-2-purin-9-yloxolane-3,4-diol Traditional Name: 5-ethynyl-2-(1-methylhexylamino)-2-purin-9-yl-tetrahydrofuran-3,4-diol Formula: C18H25N5O3 MolecularWeight: 359.4228

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC1(C(C(C(O1)C#C)O)O)N2C=NC3=CN=CN=C32

Isomeric SMILES

CCCCCC(C)NC1(C(C(C(O1)C#C)O)O)N2C=NC3=CN=CN=C32

InChI

InChI=1S/C18H25N5O3/c1-4-6-7-8-12(3)22-18(16(25)15(24)14(5-2)26-18)23-11-21-13-9-19-10-20-17(13)23/h2,9-12,14-16,22,24-25H,4,6-8H2,1,3H3