7-(2-chlorophenyl)-3-(2-oxidanylideneoxolan-3-yl)-8-piperazin-1-yl-purine-2,6-dione

Systemtic Name: 7-(2-chlorophenyl)-3-(2-oxidanylideneoxolan-3-yl)-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 7-(2-chlorophenyl)-3-(2-oxotetrahydrofuran-3-yl)-8-piperazin-1-yl-purine-2,6-dione CAS Name: 7-(2-chlorophenyl)-3-(2-oxo-3-oxolanyl)-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 7-(2-chlorophenyl)-3-(2-oxooxolan-3-yl)-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 7-(2-chlorophenyl)-3-(2-ketotetrahydrofuran-3-yl)-8-piperazino-xanthine Formula: C19H19ClN6O4 MolecularWeight: 430.84496

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(=O)C1N2C3=C(C(=O)NC2=O)N(C(=N3)N4CCNCC4)C5=CC=CC=C5Cl

Isomeric SMILES

C1COC(=O)C1N2C3=C(C(=O)NC2=O)N(C(=N3)N4CCNCC4)C5=CC=CC=C5Cl

InChI

InChI=1S/C19H19ClN6O4/c20-11-3-1-2-4-12(11)25-14-15(22-18(25)24-8-6-21-7-9-24)26(19(29)23-16(14)27)13-5-10-30-17(13)28/h1-4,13,21H,5-10H2,(H,23,27,29)