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

Systemtic Name: 4-[3-(6-azanyl-9-prop-2-ynyl-purin-2-yl)prop-2-ynyl]-N-methyl-N-(2-methylpropyl)piperazine-1-carboxamide Openeye Name: 4-[3-(6-amino-9-prop-2-ynyl-purin-2-yl)prop-2-ynyl]-N-isobutyl-N-methyl-piperazine-1-carboxamide CAS Name: 4-[3-(6-amino-9-prop-2-ynyl-2-purinyl)prop-2-ynyl]-N-methyl-N-(2-methylpropyl)-1-piperazinecarboxamide IUPAC Name: 4-[3-(6-amino-9-prop-2-ynylpurin-2-yl)prop-2-ynyl]-N-methyl-N-(2-methylpropyl)piperazine-1-carboxamide Traditional Name: 4-[3-(6-amino-9-propargyl-purin-2-yl)prop-2-ynyl]-N-isobutyl-N-methyl-piperazine-1-carboxamide Formula: C21H28N8O MolecularWeight: 408.50002

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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=CN3CC#C

Isomeric SMILES

CC(C)CN(C)C(=O)N1CCN(CC1)CC#CC2=NC3=C(C(=N2)N)N=CN3CC#C

InChI

InChI=1S/C21H28N8O/c1-5-8-29-15-23-18-19(22)24-17(25-20(18)29)7-6-9-27-10-12-28(13-11-27)21(30)26(4)14-16(2)3/h1,15-16H,8-14H2,2-4H3,(H2,22,24,25)