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

Systemtic Name: 4-[3-(6-azanyl-9-cyclopentyl-purin-2-yl)prop-2-ynyl]-N-methyl-N-propan-2-yl-piperazine-1-carboxamide Openeye Name: 4-[3-(6-amino-9-cyclopentyl-purin-2-yl)prop-2-ynyl]-N-isopropyl-N-methyl-piperazine-1-carboxamide CAS Name: 4-[3-(6-amino-9-cyclopentyl-2-purinyl)prop-2-ynyl]-N-methyl-N-propan-2-yl-1-piperazinecarboxamide IUPAC Name: 4-[3-(6-amino-9-cyclopentylpurin-2-yl)prop-2-ynyl]-N-methyl-N-propan-2-ylpiperazine-1-carboxamide Traditional Name: 4-[3-(6-amino-9-cyclopentyl-purin-2-yl)prop-2-ynyl]-N-isopropyl-N-methyl-piperazine-1-carboxamide Formula: C22H32N8O MolecularWeight: 424.54248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N8O/c1-16(2)27(3)22(31)29-13-11-28(12-14-29)10-6-9-18-25-20(23)19-21(26-18)30(15-24-19)17-7-4-5-8-17/h15-17H,4-5,7-8,10-14H2,1-3H3,(H2,23,25,26)