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

Systemtic Name: 7-[(Z)-3-chloranylbut-2-enyl]-3-methyl-8-(4-methylpiperazin-4-ium-1-yl)purine-2,6-dione Openeye Name: 7-[(Z)-3-chlorobut-2-enyl]-3-methyl-8-(4-methylpiperazin-4-ium-1-yl)purine-2,6-dione CAS Name: 7-[(Z)-3-chlorobut-2-enyl]-3-methyl-8-(4-methyl-1-piperazin-4-iumyl)purine-2,6-dione IUPAC Name: 7-[(Z)-3-chlorobut-2-enyl]-3-methyl-8-(4-methylpiperazin-4-ium-1-yl)purine-2,6-dione Traditional Name: 7-[(Z)-3-chlorobut-2-enyl]-3-methyl-8-(4-methylpiperazin-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[NH+](CC3)C)N(C(=O)NC2=O)C)Cl

Isomeric SMILES

C/C(=C/CN1C2=C(N=C1N3CC[NH+](CC3)C)N(C(=O)NC2=O)C)/Cl

InChI

InChI=1S/C15H21ClN6O2/c1-10(16)4-5-22-11-12(20(3)15(24)18-13(11)23)17-14(22)21-8-6-19(2)7-9-21/h4H,5-9H2,1-3H3,(H,18,23,24)/p+1/b10-4-