(1S,3R)-1-[2-(6-azanyl-9-prop-2-ynyl-purin-2-yl)ethynyl]-3-methyl-cyclohexan-1-ol

Systemtic Name: (1S,3R)-1-[2-(6-azanyl-9-prop-2-ynyl-purin-2-yl)ethynyl]-3-methyl-cyclohexan-1-ol Openeye Name: (1S,3R)-1-[2-(6-amino-9-prop-2-ynyl-purin-2-yl)ethynyl]-3-methyl-cyclohexanol CAS Name: (1S,3R)-1-[2-(6-amino-9-prop-2-ynyl-2-purinyl)ethynyl]-3-methyl-1-cyclohexanol IUPAC Name: (1S,3R)-1-[2-(6-amino-9-prop-2-ynylpurin-2-yl)ethynyl]-3-methylcyclohexan-1-ol Traditional Name: (1S,3R)-1-[2-(6-amino-9-propargyl-purin-2-yl)ethynyl]-3-methyl-cyclohexanol Formula: C17H19N5O MolecularWeight: 309.36566

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)(C#CC2=NC3=C(C(=N2)N)N=CN3CC#C)O

Isomeric SMILES

C[C@@H]1CCC[C@](C1)(C#CC2=NC3=C(C(=N2)N)N=CN3CC#C)O

InChI

InChI=1S/C17H19N5O/c1-3-9-22-11-19-14-15(18)20-13(21-16(14)22)6-8-17(23)7-4-5-12(2)10-17/h1,11-12,23H,4-5,7,9-10H2,2H3,(H2,18,20,21)/t12-,17-/m1/s1