7-(2-chloroethyl)-3-methyl-8-piperidin-1-yl-purine-2,6-dione

Systemtic Name: 7-(2-chloroethyl)-3-methyl-8-piperidin-1-yl-purine-2,6-dione Openeye Name: 7-(2-chloroethyl)-3-methyl-8-(1-piperidyl)purine-2,6-dione CAS Name: 7-(2-chloroethyl)-3-methyl-8-(1-piperidinyl)purine-2,6-dione IUPAC Name: 7-(2-chloroethyl)-3-methyl-8-piperidin-1-ylpurine-2,6-dione Traditional Name: 7-(2-chloroethyl)-3-methyl-8-piperidino-xanthine Formula: C13H18ClN5O2 MolecularWeight: 311.76732

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCC3)CCCl

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCC3)CCCl

InChI

InChI=1S/C13H18ClN5O2/c1-17-10-9(11(20)16-13(17)21)19(8-5-14)12(15-10)18-6-3-2-4-7-18/h2-8H2,1H3,(H,16,20,21)