8-(azepan-1-yl)-7-[(4-chlorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-(azepan-1-yl)-7-[(4-chlorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-(azepan-1-yl)-7-[(4-chlorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(1-azepanyl)-7-[(4-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(azepan-1-yl)-7-[(4-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(azepan-1-yl)-7-(4-chlorobenzyl)-1,3-dimethyl-xanthine Formula: C20H24ClN5O2 MolecularWeight: 401.88986

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCCCC3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCCCC3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H24ClN5O2/c1-23-17-16(18(27)24(2)20(23)28)26(13-14-7-9-15(21)10-8-14)19(22-17)25-11-5-3-4-6-12-25/h7-10H,3-6,11-13H2,1-2H3