7-[(Z)-3-chloranylbut-2-enyl]-8-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-purine-2,6-dione

Systemtic Name: 7-[(Z)-3-chloranylbut-2-enyl]-8-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-purine-2,6-dione Openeye Name: 7-[(Z)-3-chlorobut-2-enyl]-8-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-purine-2,6-dione CAS Name: 7-[(Z)-3-chlorobut-2-enyl]-8-(4-ethyl-1-piperazin-4-iumyl)-3-methylpurine-2,6-dione IUPAC Name: 7-[(Z)-3-chlorobut-2-enyl]-8-(4-ethylpiperazin-4-ium-1-yl)-3-methylpurine-2,6-dione Traditional Name: 7-[(Z)-3-chlorobut-2-enyl]-8-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-xanthine Formula: C16H24ClN6O2+ MolecularWeight: 367.85376

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC3=C(N2CC=C(C)Cl)C(=O)NC(=O)N3C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NC3=C(N2C/C=C(/C)\Cl)C(=O)NC(=O)N3C

InChI

InChI=1S/C16H23ClN6O2/c1-4-21-7-9-22(10-8-21)15-18-13-12(23(15)6-5-11(2)17)14(24)19-16(25)20(13)3/h5H,4,6-10H2,1-3H3,(H,19,24,25)/p+1/b11-5-