7-but-2-ynyl-1-methyl-2-morpholin-4-yl-8-piperazin-1-yl-purin-6-one

Systemtic Name: 7-but-2-ynyl-1-methyl-2-morpholin-4-yl-8-piperazin-1-yl-purin-6-one Openeye Name: 7-but-2-ynyl-1-methyl-2-morpholino-8-piperazin-1-yl-purin-6-one CAS Name: 7-but-2-ynyl-1-methyl-2-(4-morpholinyl)-8-(1-piperazinyl)-6-purinone IUPAC Name: 7-but-2-ynyl-1-methyl-2-morpholin-4-yl-8-piperazin-1-ylpurin-6-one Traditional Name: 7-but-2-ynyl-1-methyl-2-morpholino-8-piperazino-purin-6-one Formula: C18H25N7O2 MolecularWeight: 371.4368

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C(N(C2=O)C)N3CCOCC3)N=C1N4CCNCC4

Isomeric SMILES

CC#CCN1C2=C(N=C(N(C2=O)C)N3CCOCC3)N=C1N4CCNCC4

InChI

InChI=1S/C18H25N7O2/c1-3-4-7-25-14-15(21-18(25)23-8-5-19-6-9-23)20-17(22(2)16(14)26)24-10-12-27-13-11-24/h19H,5-13H2,1-2H3