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

Systemtic Name: 7-but-2-ynyl-2-(2-ethoxyethylamino)-1-methyl-8-piperazin-1-yl-purin-6-one Openeye Name: 7-but-2-ynyl-2-(2-ethoxyethylamino)-1-methyl-8-piperazin-1-yl-purin-6-one CAS Name: 7-but-2-ynyl-2-(2-ethoxyethylamino)-1-methyl-8-(1-piperazinyl)-6-purinone IUPAC Name: 7-but-2-ynyl-2-(2-ethoxyethylamino)-1-methyl-8-piperazin-1-ylpurin-6-one Traditional Name: 7-but-2-ynyl-2-(2-ethoxyethylamino)-1-methyl-8-piperazino-purin-6-one Formula: C18H27N7O2 MolecularWeight: 373.45268

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCNC1=NC2=C(C(=O)N1C)N(C(=N2)N3CCNCC3)CC#CC

Isomeric SMILES

CCOCCNC1=NC2=C(C(=O)N1C)N(C(=N2)N3CCNCC3)CC#CC

InChI

InChI=1S/C18H27N7O2/c1-4-6-10-25-14-15(22-18(25)24-11-7-19-8-12-24)21-17(23(3)16(14)26)20-9-13-27-5-2/h19H,5,7-13H2,1-3H3,(H,20,21)