ethyl 3-[6-azanyl-9-methyl-2-[2-(1-oxidanylcyclohexyl)ethynyl]purin-8-yl]benzoate

Systemtic Name: ethyl 3-[6-azanyl-9-methyl-2-[2-(1-oxidanylcyclohexyl)ethynyl]purin-8-yl]benzoate Openeye Name: ethyl 3-[6-amino-2-[2-(1-hydroxycyclohexyl)ethynyl]-9-methyl-purin-8-yl]benzoate CAS Name: 3-[6-amino-2-[2-(1-hydroxycyclohexyl)ethynyl]-9-methyl-8-purinyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-[6-amino-2-[2-(1-hydroxycyclohexyl)ethynyl]-9-methylpurin-8-yl]benzoate Traditional Name: 3-[6-amino-2-[2-(1-hydroxycyclohexyl)ethynyl]-9-methyl-purin-8-yl]benzoic acid ethyl ester Formula: C23H25N5O3 MolecularWeight: 419.4763

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC(=C1)C2=NC3=C(N2C)N=C(N=C3N)C#CC4(CCCCC4)O

Isomeric SMILES

CCOC(=O)C1=CC=CC(=C1)C2=NC3=C(N2C)N=C(N=C3N)C#CC4(CCCCC4)O

InChI

InChI=1S/C23H25N5O3/c1-3-31-22(29)16-9-7-8-15(14-16)20-27-18-19(24)25-17(26-21(18)28(20)2)10-13-23(30)11-5-4-6-12-23/h7-9,14,30H,3-6,11-12H2,1-2H3,(H2,24,25,26)