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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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