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

Systemtic Name: 7-[(Z)-3-chloranylbut-2-enyl]-1,3-dimethyl-8-piperazin-4-ium-1-yl-purine-2,6-dione Openeye Name: 7-[(Z)-3-chlorobut-2-enyl]-1,3-dimethyl-8-piperazin-4-ium-1-yl-purine-2,6-dione CAS Name: 7-[(Z)-3-chlorobut-2-enyl]-1,3-dimethyl-8-(1-piperazin-4-iumyl)purine-2,6-dione IUPAC Name: 7-[(Z)-3-chlorobut-2-enyl]-1,3-dimethyl-8-piperazin-4-ium-1-ylpurine-2,6-dione Traditional Name: 7-[(Z)-3-chlorobut-2-enyl]-1,3-dimethyl-8-piperazin-4-ium-1-yl-xanthine Formula: C15H22ClN6O2+ MolecularWeight: 353.82718

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=C(N=C1N3CC[NH2+]CC3)N(C(=O)N(C2=O)C)C)Cl

Isomeric SMILES

C/C(=C/CN1C2=C(N=C1N3CC[NH2+]CC3)N(C(=O)N(C2=O)C)C)/Cl

InChI

InChI=1S/C15H21ClN6O2/c1-10(16)4-7-22-11-12(19(2)15(24)20(3)13(11)23)18-14(22)21-8-5-17-6-9-21/h4,17H,5-9H2,1-3H3/p+1/b10-4-