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

Systemtic Name: 4-[3-(6-azanyl-9-cyclopentyl-purin-2-yl)prop-2-ynyl]-N-methyl-N-(2-methylpropyl)piperazine-1-carboxamide Openeye Name: 4-[3-(6-amino-9-cyclopentyl-purin-2-yl)prop-2-ynyl]-N-isobutyl-N-methyl-piperazine-1-carboxamide CAS Name: 4-[3-(6-amino-9-cyclopentyl-2-purinyl)prop-2-ynyl]-N-methyl-N-(2-methylpropyl)-1-piperazinecarboxamide IUPAC Name: 4-[3-(6-amino-9-cyclopentylpurin-2-yl)prop-2-ynyl]-N-methyl-N-(2-methylpropyl)piperazine-1-carboxamide Traditional Name: 4-[3-(6-amino-9-cyclopentyl-purin-2-yl)prop-2-ynyl]-N-isobutyl-N-methyl-piperazine-1-carboxamide Formula: C23H34N8O MolecularWeight: 438.56906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(C)C(=O)N1CCN(CC1)CC#CC2=NC3=C(C(=N2)N)N=CN3C4CCCC4

Isomeric SMILES

CC(C)CN(C)C(=O)N1CCN(CC1)CC#CC2=NC3=C(C(=N2)N)N=CN3C4CCCC4

InChI

InChI=1S/C23H34N8O/c1-17(2)15-28(3)23(32)30-13-11-29(12-14-30)10-6-9-19-26-21(24)20-22(27-19)31(16-25-20)18-7-4-5-8-18/h16-18H,4-5,7-8,10-15H2,1-3H3,(H2,24,26,27)