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

Systemtic Name: 4-[3-(6-azanyl-9-cyclopentyl-purin-2-yl)prop-2-ynyl]-N-methyl-piperazine-1-carboxamide Openeye Name: 4-[3-(6-amino-9-cyclopentyl-purin-2-yl)prop-2-ynyl]-N-methyl-piperazine-1-carboxamide CAS Name: 4-[3-(6-amino-9-cyclopentyl-2-purinyl)prop-2-ynyl]-N-methyl-1-piperazinecarboxamide IUPAC Name: 4-[3-(6-amino-9-cyclopentylpurin-2-yl)prop-2-ynyl]-N-methylpiperazine-1-carboxamide Traditional Name: 4-[3-(6-amino-9-cyclopentyl-purin-2-yl)prop-2-ynyl]-N-methyl-piperazine-1-carboxamide Formula: C19H26N8O MolecularWeight: 382.46274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N8O/c1-21-19(28)26-11-9-25(10-12-26)8-4-7-15-23-17(20)16-18(24-15)27(13-22-16)14-5-2-3-6-14/h13-14H,2-3,5-6,8-12H2,1H3,(H,21,28)(H2,20,23,24)