3-[6-azanyl-2-[2-(1-oxidanylcyclohexyl)ethynyl]purin-9-yl]propane-1,2-diol

Systemtic Name: 3-[6-azanyl-2-[2-(1-oxidanylcyclohexyl)ethynyl]purin-9-yl]propane-1,2-diol Openeye Name: 3-[6-amino-2-[2-(1-hydroxycyclohexyl)ethynyl]purin-9-yl]propane-1,2-diol CAS Name: 3-[6-amino-2-[2-(1-hydroxycyclohexyl)ethynyl]-9-purinyl]propane-1,2-diol IUPAC Name: 3-[6-amino-2-[2-(1-hydroxycyclohexyl)ethynyl]purin-9-yl]propane-1,2-diol Traditional Name: 3-[6-amino-2-[2-(1-hydroxycyclohexyl)ethynyl]purin-9-yl]propane-1,2-diol Formula: C16H21N5O3 MolecularWeight: 331.36964

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#CC2=NC3=C(C(=N2)N)N=CN3CC(CO)O)O

Isomeric SMILES

C1CCC(CC1)(C#CC2=NC3=C(C(=N2)N)N=CN3CC(CO)O)O

InChI

InChI=1S/C16H21N5O3/c17-14-13-15(21(10-18-13)8-11(23)9-22)20-12(19-14)4-7-16(24)5-2-1-3-6-16/h10-11,22-24H,1-3,5-6,8-9H2,(H2,17,19,20)