8-(azepan-1-yl)-7-[(E)-3-chloranylbut-2-enyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-(azepan-1-yl)-7-[(E)-3-chloranylbut-2-enyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-(azepan-1-yl)-7-[(E)-3-chlorobut-2-enyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(1-azepanyl)-7-[(E)-3-chlorobut-2-enyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(azepan-1-yl)-7-[(E)-3-chlorobut-2-enyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(azepan-1-yl)-7-[(E)-3-chlorobut-2-enyl]-1,3-dimethyl-xanthine Formula: C17H24ClN5O2 MolecularWeight: 365.85776

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=C(N=C1N3CCCCCC3)N(C(=O)N(C2=O)C)C)Cl

Isomeric SMILES

C/C(=C\CN1C2=C(N=C1N3CCCCCC3)N(C(=O)N(C2=O)C)C)/Cl

InChI

InChI=1S/C17H24ClN5O2/c1-12(18)8-11-23-13-14(20(2)17(25)21(3)15(13)24)19-16(23)22-9-6-4-5-7-10-22/h8H,4-7,9-11H2,1-3H3/b12-8+