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

Systemtic Name: 7-but-2-ynyl-3-(2,2-dimethyl-3-oxidanyl-propyl)-1-methyl-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 7-but-2-ynyl-3-(3-hydroxy-2,2-dimethyl-propyl)-1-methyl-8-piperazin-1-yl-purine-2,6-dione CAS Name: 7-but-2-ynyl-3-(3-hydroxy-2,2-dimethylpropyl)-1-methyl-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 7-but-2-ynyl-3-(3-hydroxy-2,2-dimethylpropyl)-1-methyl-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 7-but-2-ynyl-3-(3-hydroxy-2,2-dimethyl-propyl)-1-methyl-8-piperazino-xanthine Formula: C19H28N6O3 MolecularWeight: 388.46402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N6O3/c1-5-6-9-24-14-15(21-17(24)23-10-7-20-8-11-23)25(12-19(2,3)13-26)18(28)22(4)16(14)27/h20,26H,7-13H2,1-4H3