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

Systemtic Name: 4-[3-(6-azanyl-9-prop-2-ynyl-purin-2-yl)prop-2-ynyl]-N,N-dimethyl-cyclohexane-1-carboxamide Openeye Name: 4-[3-(6-amino-9-prop-2-ynyl-purin-2-yl)prop-2-ynyl]-N,N-dimethyl-cyclohexanecarboxamide CAS Name: 4-[3-(6-amino-9-prop-2-ynyl-2-purinyl)prop-2-ynyl]-N,N-dimethyl-1-cyclohexanecarboxamide IUPAC Name: 4-[3-(6-amino-9-prop-2-ynylpurin-2-yl)prop-2-ynyl]-N,N-dimethylcyclohexane-1-carboxamide Traditional Name: 4-[3-(6-amino-9-propargyl-purin-2-yl)prop-2-ynyl]-N,N-dimethyl-cyclohexanecarboxamide Formula: C20H24N6O MolecularWeight: 364.44416

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1CCC(CC1)CC#CC2=NC3=C(C(=N2)N)N=CN3CC#C

Isomeric SMILES

CN(C)C(=O)C1CCC(CC1)CC#CC2=NC3=C(C(=N2)N)N=CN3CC#C

InChI

InChI=1S/C20H24N6O/c1-4-12-26-13-22-17-18(21)23-16(24-19(17)26)7-5-6-14-8-10-15(11-9-14)20(27)25(2)3/h1,13-15H,6,8-12H2,2-3H3,(H2,21,23,24)