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

Systemtic Name: 2-butyl-7-but-2-ynyl-1-methyl-8-piperazin-1-yl-purin-6-one Openeye Name: 2-butyl-7-but-2-ynyl-1-methyl-8-piperazin-1-yl-purin-6-one CAS Name: 2-butyl-7-but-2-ynyl-1-methyl-8-(1-piperazinyl)-6-purinone IUPAC Name: 2-butyl-7-but-2-ynyl-1-methyl-8-piperazin-1-ylpurin-6-one Traditional Name: 2-butyl-7-but-2-ynyl-1-methyl-8-piperazino-purin-6-one Formula: C18H26N6O MolecularWeight: 342.43864

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C(=O)N1C)N(C(=N2)N3CCNCC3)CC#CC

Isomeric SMILES

CCCCC1=NC2=C(C(=O)N1C)N(C(=N2)N3CCNCC3)CC#CC

InChI

InChI=1S/C18H26N6O/c1-4-6-8-14-20-16-15(17(25)22(14)3)24(11-7-5-2)18(21-16)23-12-9-19-10-13-23/h19H,4,6,8-13H2,1-3H3