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

Systemtic Name: 8-(azepan-1-yl)-7-[(Z)-3-chloranylbut-2-enyl]-3-methyl-purine-2,6-dione Openeye Name: 8-(azepan-1-yl)-7-[(Z)-3-chlorobut-2-enyl]-3-methyl-purine-2,6-dione CAS Name: 8-(1-azepanyl)-7-[(Z)-3-chlorobut-2-enyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(azepan-1-yl)-7-[(Z)-3-chlorobut-2-enyl]-3-methylpurine-2,6-dione Traditional Name: 8-(azepan-1-yl)-7-[(Z)-3-chlorobut-2-enyl]-3-methyl-xanthine Formula: C16H22ClN5O2 MolecularWeight: 351.83118

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=C(N=C1N3CCCCCC3)N(C(=O)NC2=O)C)Cl

Isomeric SMILES

C/C(=C/CN1C2=C(N=C1N3CCCCCC3)N(C(=O)NC2=O)C)/Cl

InChI

InChI=1S/C16H22ClN5O2/c1-11(17)7-10-22-12-13(20(2)16(24)19-14(12)23)18-15(22)21-8-5-3-4-6-9-21/h7H,3-6,8-10H2,1-2H3,(H,19,23,24)/b11-7-