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

Systemtic Name: 7-but-2-ynyl-9-methyl-6-piperazin-1-yl-purin-8-one Openeye Name: 7-but-2-ynyl-9-methyl-6-piperazin-1-yl-purin-8-one CAS Name: 7-but-2-ynyl-9-methyl-6-(1-piperazinyl)-8-purinone IUPAC Name: 7-but-2-ynyl-9-methyl-6-piperazin-1-ylpurin-8-one Traditional Name: 7-but-2-ynyl-9-methyl-6-piperazino-purin-8-one Formula: C14H18N6O MolecularWeight: 286.33232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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