methyl 4-[3-(6-azanyl-9-cyclopentyl-purin-2-yl)prop-2-ynyl]cyclohexane-1-carboxylate

Systemtic Name: methyl 4-[3-(6-azanyl-9-cyclopentyl-purin-2-yl)prop-2-ynyl]cyclohexane-1-carboxylate Openeye Name: methyl 4-[3-(6-amino-9-cyclopentyl-purin-2-yl)prop-2-ynyl]cyclohexanecarboxylate CAS Name: 4-[3-(6-amino-9-cyclopentyl-2-purinyl)prop-2-ynyl]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[3-(6-amino-9-cyclopentylpurin-2-yl)prop-2-ynyl]cyclohexane-1-carboxylate Traditional Name: 4-[3-(6-amino-9-cyclopentyl-purin-2-yl)prop-2-ynyl]cyclohexanecarboxylic acid methyl ester Formula: C21H27N5O2 MolecularWeight: 381.47138

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(CC1)CC#CC2=NC3=C(C(=N2)N)N=CN3C4CCCC4

Isomeric SMILES

COC(=O)C1CCC(CC1)CC#CC2=NC3=C(C(=N2)N)N=CN3C4CCCC4

InChI

InChI=1S/C21H27N5O2/c1-28-21(27)15-11-9-14(10-12-15)5-4-8-17-24-19(22)18-20(25-17)26(13-23-18)16-6-2-3-7-16/h13-16H,2-3,5-7,9-12H2,1H3,(H2,22,24,25)