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

Systemtic Name: 7-but-2-ynyl-9-methyl-2-(methylamino)-6-piperazin-1-yl-purin-8-one Openeye Name: 7-but-2-ynyl-9-methyl-2-(methylamino)-6-piperazin-1-yl-purin-8-one CAS Name: 7-but-2-ynyl-9-methyl-2-(methylamino)-6-(1-piperazinyl)-8-purinone IUPAC Name: 7-but-2-ynyl-9-methyl-2-(methylamino)-6-piperazin-1-ylpurin-8-one Traditional Name: 7-but-2-ynyl-9-methyl-2-(methylamino)-6-piperazino-purin-8-one Formula: C15H21N7O MolecularWeight: 315.37354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N7O/c1-4-5-8-22-11-12(20(3)15(22)23)18-14(16-2)19-13(11)21-9-6-17-7-10-21/h17H,6-10H2,1-3H3,(H,16,18,19)