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

Systemtic Name: 8-(azepan-1-yl)-7-(3-chloranyl-2-oxidanyl-propyl)-3-methyl-purine-2,6-dione Openeye Name: 8-(azepan-1-yl)-7-(3-chloro-2-hydroxy-propyl)-3-methyl-purine-2,6-dione CAS Name: 8-(1-azepanyl)-7-(3-chloro-2-hydroxypropyl)-3-methylpurine-2,6-dione IUPAC Name: 8-(azepan-1-yl)-7-(3-chloro-2-hydroxypropyl)-3-methylpurine-2,6-dione Traditional Name: 8-(azepan-1-yl)-7-(3-chloro-2-hydroxy-propyl)-3-methyl-xanthine Formula: C15H22ClN5O3 MolecularWeight: 355.81988

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCCC3)CC(CCl)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCCC3)CC(CCl)O

InChI

InChI=1S/C15H22ClN5O3/c1-19-12-11(13(23)18-15(19)24)21(9-10(22)8-16)14(17-12)20-6-4-2-3-5-7-20/h10,22H,2-9H2,1H3,(H,18,23,24)