1,7-bis(but-2-ynyl)-3-methyl-8-piperazin-1-yl-purine-2,6-dione

Systemtic Name: 1,7-bis(but-2-ynyl)-3-methyl-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 1,7-bis(but-2-ynyl)-3-methyl-8-piperazin-1-yl-purine-2,6-dione CAS Name: 1,7-bis(but-2-ynyl)-3-methyl-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 1,7-bis(but-2-ynyl)-3-methyl-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 1,7-bis(but-2-ynyl)-3-methyl-8-piperazino-xanthine Formula: C18H22N6O2 MolecularWeight: 354.40628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N6O2/c1-4-6-10-23-14-15(20-17(23)22-12-8-19-9-13-22)21(3)18(26)24(16(14)25)11-7-5-2/h19H,8-13H2,1-3H3