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

Systemtic Name: 7-but-2-ynyl-2-(dimethylamino)-9-methyl-6-piperazin-1-yl-purin-8-one Openeye Name: 7-but-2-ynyl-2-(dimethylamino)-9-methyl-6-piperazin-1-yl-purin-8-one CAS Name: 7-but-2-ynyl-2-(dimethylamino)-9-methyl-6-(1-piperazinyl)-8-purinone IUPAC Name: 7-but-2-ynyl-2-(dimethylamino)-9-methyl-6-piperazin-1-ylpurin-8-one Traditional Name: 7-but-2-ynyl-2-(dimethylamino)-9-methyl-6-piperazino-purin-8-one Formula: C16H23N7O MolecularWeight: 329.40012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N7O/c1-5-6-9-23-12-13(21(4)16(23)24)18-15(20(2)3)19-14(12)22-10-7-17-8-11-22/h17H,7-11H2,1-4H3