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

Systemtic Name: 7-but-2-ynyl-1-methyl-3-(2-oxidanylideneoxolan-3-yl)-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 7-but-2-ynyl-1-methyl-3-(2-oxotetrahydrofuran-3-yl)-8-piperazin-1-yl-purine-2,6-dione CAS Name: 7-but-2-ynyl-1-methyl-3-(2-oxo-3-oxolanyl)-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 7-but-2-ynyl-1-methyl-3-(2-oxooxolan-3-yl)-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 7-but-2-ynyl-3-(2-ketotetrahydrofuran-3-yl)-1-methyl-8-piperazino-xanthine Formula: C18H22N6O4 MolecularWeight: 386.40508

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)C)C4CCOC4=O

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)C)C4CCOC4=O

InChI

InChI=1S/C18H22N6O4/c1-3-4-8-23-13-14(20-17(23)22-9-6-19-7-10-22)24(12-5-11-28-16(12)26)18(27)21(2)15(13)25/h12,19H,5-11H2,1-2H3