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

Systemtic Name: 7-(2-chlorophenyl)-3-(oxolan-2-ylmethyl)-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 7-(2-chlorophenyl)-8-piperazin-1-yl-3-(tetrahydrofuran-2-ylmethyl)purine-2,6-dione CAS Name: 7-(2-chlorophenyl)-3-(2-oxolanylmethyl)-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 7-(2-chlorophenyl)-3-(oxolan-2-ylmethyl)-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 7-(2-chlorophenyl)-8-piperazino-3-(tetrahydrofurfuryl)xanthine Formula: C20H23ClN6O3 MolecularWeight: 430.88802

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C3=C(C(=O)NC2=O)N(C(=N3)N4CCNCC4)C5=CC=CC=C5Cl

Isomeric SMILES

C1CC(OC1)CN2C3=C(C(=O)NC2=O)N(C(=N3)N4CCNCC4)C5=CC=CC=C5Cl

InChI

InChI=1S/C20H23ClN6O3/c21-14-5-1-2-6-15(14)27-16-17(23-19(27)25-9-7-22-8-10-25)26(20(29)24-18(16)28)12-13-4-3-11-30-13/h1-2,5-6,13,22H,3-4,7-12H2,(H,24,28,29)