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

Systemtic Name: 7-but-2-ynyl-1-methyl-8-piperazin-1-yl-purin-6-one Openeye Name: 7-but-2-ynyl-1-methyl-8-piperazin-1-yl-purin-6-one CAS Name: 7-but-2-ynyl-1-methyl-8-(1-piperazinyl)-6-purinone IUPAC Name: 7-but-2-ynyl-1-methyl-8-piperazin-1-ylpurin-6-one Traditional Name: 7-but-2-ynyl-1-methyl-8-piperazino-purin-6-one Formula: C14H18N6O MolecularWeight: 286.33232

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=CN(C2=O)C)N=C1N3CCNCC3

Isomeric SMILES

CC#CCN1C2=C(N=CN(C2=O)C)N=C1N3CCNCC3

InChI

InChI=1S/C14H18N6O/c1-3-4-7-20-11-12(16-10-18(2)13(11)21)17-14(20)19-8-5-15-6-9-19/h10,15H,5-9H2,1-2H3