7-but-2-ynyl-1-ethyl-3-methyl-8-piperazin-1-yl-purine-2,6-dione

Systemtic Name: 7-but-2-ynyl-1-ethyl-3-methyl-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 7-but-2-ynyl-1-ethyl-3-methyl-8-piperazin-1-yl-purine-2,6-dione CAS Name: 7-but-2-ynyl-1-ethyl-3-methyl-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 7-but-2-ynyl-1-ethyl-3-methyl-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 7-but-2-ynyl-1-ethyl-3-methyl-8-piperazino-xanthine Formula: C16H22N6O2 MolecularWeight: 330.38488

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C(N2CC#CC)N3CCNCC3)N(C1=O)C

Isomeric SMILES

CCN1C(=O)C2=C(N=C(N2CC#CC)N3CCNCC3)N(C1=O)C

InChI

InChI=1S/C16H22N6O2/c1-4-6-9-22-12-13(18-15(22)20-10-7-17-8-11-20)19(3)16(24)21(5-2)14(12)23/h17H,5,7-11H2,1-3H3