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

Systemtic Name: 8-(azepan-1-yl)-7-(2-chloroethyl)-3-methyl-purine-2,6-dione Openeye Name: 8-(azepan-1-yl)-7-(2-chloroethyl)-3-methyl-purine-2,6-dione CAS Name: 8-(1-azepanyl)-7-(2-chloroethyl)-3-methylpurine-2,6-dione IUPAC Name: 8-(azepan-1-yl)-7-(2-chloroethyl)-3-methylpurine-2,6-dione Traditional Name: 8-(azepan-1-yl)-7-(2-chloroethyl)-3-methyl-xanthine Formula: C14H20ClN5O2 MolecularWeight: 325.7939

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCCC3)CCCl

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCCC3)CCCl

InChI

InChI=1S/C14H20ClN5O2/c1-18-11-10(12(21)17-14(18)22)20(9-6-15)13(16-11)19-7-4-2-3-5-8-19/h2-9H2,1H3,(H,17,21,22)