2-but-2-ynoxy-7-but-2-ynyl-9-methyl-6-piperazin-1-yl-purin-8-one

Systemtic Name: 2-but-2-ynoxy-7-but-2-ynyl-9-methyl-6-piperazin-1-yl-purin-8-one Openeye Name: 2-but-2-ynoxy-7-but-2-ynyl-9-methyl-6-piperazin-1-yl-purin-8-one CAS Name: 2-but-2-ynoxy-7-but-2-ynyl-9-methyl-6-(1-piperazinyl)-8-purinone IUPAC Name: 2-but-2-ynoxy-7-but-2-ynyl-9-methyl-6-piperazin-1-ylpurin-8-one Traditional Name: 2-but-2-ynoxy-7-but-2-ynyl-9-methyl-6-piperazino-purin-8-one Formula: C18H22N6O2 MolecularWeight: 354.40628

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C(N=C2N3CCNCC3)OCC#CC)N(C1=O)C

Isomeric SMILES

CC#CCN1C2=C(N=C(N=C2N3CCNCC3)OCC#CC)N(C1=O)C

InChI

InChI=1S/C18H22N6O2/c1-4-6-10-24-14-15(22(3)18(24)25)20-17(26-13-7-5-2)21-16(14)23-11-8-19-9-12-23/h19H,8-13H2,1-3H3