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

Systemtic Name: 3-[2,3-bis(oxidanyl)propyl]-7-but-2-ynyl-1-methyl-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 7-but-2-ynyl-3-(2,3-dihydroxypropyl)-1-methyl-8-piperazin-1-yl-purine-2,6-dione CAS Name: 7-but-2-ynyl-3-(2,3-dihydroxypropyl)-1-methyl-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 7-but-2-ynyl-3-(2,3-dihydroxypropyl)-1-methyl-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 7-but-2-ynyl-3-glyceryl-1-methyl-8-piperazino-xanthine Formula: C17H24N6O4 MolecularWeight: 376.41026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N6O4/c1-3-4-7-22-13-14(19-16(22)21-8-5-18-6-9-21)23(10-12(25)11-24)17(27)20(2)15(13)26/h12,18,24-25H,5-11H2,1-2H3