7-(3-chloranyl-2-oxidanyl-propyl)-3-methyl-8-piperidin-1-yl-purine-2,6-dione

Systemtic Name: 7-(3-chloranyl-2-oxidanyl-propyl)-3-methyl-8-piperidin-1-yl-purine-2,6-dione Openeye Name: 7-(3-chloro-2-hydroxy-propyl)-3-methyl-8-(1-piperidyl)purine-2,6-dione CAS Name: 7-(3-chloro-2-hydroxypropyl)-3-methyl-8-(1-piperidinyl)purine-2,6-dione IUPAC Name: 7-(3-chloro-2-hydroxypropyl)-3-methyl-8-piperidin-1-ylpurine-2,6-dione Traditional Name: 7-(3-chloro-2-hydroxy-propyl)-3-methyl-8-piperidino-xanthine Formula: C14H20ClN5O3 MolecularWeight: 341.7933

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCC3)CC(CCl)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCC3)CC(CCl)O

InChI

InChI=1S/C14H20ClN5O3/c1-18-11-10(12(22)17-14(18)23)20(8-9(21)7-15)13(16-11)19-5-3-2-4-6-19/h9,21H,2-8H2,1H3,(H,17,22,23)