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

Systemtic Name: 7-but-2-ynyl-1-methyl-2-(phenethylamino)-8-piperazin-1-yl-purin-6-one Openeye Name: 7-but-2-ynyl-1-methyl-2-(phenethylamino)-8-piperazin-1-yl-purin-6-one CAS Name: 7-but-2-ynyl-1-methyl-2-(phenethylamino)-8-(1-piperazinyl)-6-purinone IUPAC Name: 7-but-2-ynyl-1-methyl-2-(phenethylamino)-8-piperazin-1-ylpurin-6-one Traditional Name: 7-but-2-ynyl-1-methyl-2-(phenethylamino)-8-piperazino-purin-6-one Formula: C22H27N7O MolecularWeight: 405.49608

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C(N(C2=O)C)NCCC3=CC=CC=C3)N=C1N4CCNCC4

Isomeric SMILES

CC#CCN1C2=C(N=C(N(C2=O)C)NCCC3=CC=CC=C3)N=C1N4CCNCC4

InChI

InChI=1S/C22H27N7O/c1-3-4-14-29-18-19(26-22(29)28-15-12-23-13-16-28)25-21(27(2)20(18)30)24-11-10-17-8-6-5-7-9-17/h5-9,23H,10-16H2,1-2H3,(H,24,25)