7-but-2-ynyl-2-(diethylamino)-1-methyl-8-piperazin-1-yl-purin-6-one

Systemtic Name: 7-but-2-ynyl-2-(diethylamino)-1-methyl-8-piperazin-1-yl-purin-6-one Openeye Name: 7-but-2-ynyl-2-(diethylamino)-1-methyl-8-piperazin-1-yl-purin-6-one CAS Name: 7-but-2-ynyl-2-(diethylamino)-1-methyl-8-(1-piperazinyl)-6-purinone IUPAC Name: 7-but-2-ynyl-2-(diethylamino)-1-methyl-8-piperazin-1-ylpurin-6-one Traditional Name: 7-but-2-ynyl-2-(diethylamino)-1-methyl-8-piperazino-purin-6-one Formula: C18H27N7O MolecularWeight: 357.45328

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC2=C(C(=O)N1C)N(C(=N2)N3CCNCC3)CC#CC

Isomeric SMILES

CCN(CC)C1=NC2=C(C(=O)N1C)N(C(=N2)N3CCNCC3)CC#CC

InChI

InChI=1S/C18H27N7O/c1-5-8-11-25-14-15(21-18(25)24-12-9-19-10-13-24)20-17(22(4)16(14)26)23(6-2)7-3/h19H,6-7,9-13H2,1-4H3