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

Systemtic Name: 4-[3-(6-azanyl-9-cyclopentyl-purin-2-yl)prop-2-ynyl]-N-methyl-cyclohexane-1-carboxamide Openeye Name: 4-[3-(6-amino-9-cyclopentyl-purin-2-yl)prop-2-ynyl]-N-methyl-cyclohexanecarboxamide CAS Name: 4-[3-(6-amino-9-cyclopentyl-2-purinyl)prop-2-ynyl]-N-methyl-1-cyclohexanecarboxamide IUPAC Name: 4-[3-(6-amino-9-cyclopentylpurin-2-yl)prop-2-ynyl]-N-methylcyclohexane-1-carboxamide Traditional Name: 4-[3-(6-amino-9-cyclopentyl-purin-2-yl)prop-2-ynyl]-N-methyl-cyclohexanecarboxamide Formula: C21H28N6O MolecularWeight: 380.48662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N6O/c1-23-21(28)15-11-9-14(10-12-15)5-4-8-17-25-19(22)18-20(26-17)27(13-24-18)16-6-2-3-7-16/h13-16H,2-3,5-7,9-12H2,1H3,(H,23,28)(H2,22,25,26)