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

Systemtic Name: 7-but-2-ynyl-2-ethynyl-1-methyl-8-piperazin-1-yl-purin-6-one Openeye Name: 7-but-2-ynyl-2-ethynyl-1-methyl-8-piperazin-1-yl-purin-6-one CAS Name: 7-but-2-ynyl-2-ethynyl-1-methyl-8-(1-piperazinyl)-6-purinone IUPAC Name: 7-but-2-ynyl-2-ethynyl-1-methyl-8-piperazin-1-ylpurin-6-one Traditional Name: 7-but-2-ynyl-2-ethynyl-1-methyl-8-piperazino-purin-6-one Formula: C16H18N6O MolecularWeight: 310.35372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N6O/c1-4-6-9-22-13-14(18-12(5-2)20(3)15(13)23)19-16(22)21-10-7-17-8-11-21/h2,17H,7-11H2,1,3H3