3-methyl-7-(3-methylbut-2-enyl)-8-(4-methylpiperazin-4-ium-1-yl)purine-2,6-dione

Systemtic Name: 3-methyl-7-(3-methylbut-2-enyl)-8-(4-methylpiperazin-4-ium-1-yl)purine-2,6-dione Openeye Name: 3-methyl-7-(3-methylbut-2-enyl)-8-(4-methylpiperazin-4-ium-1-yl)purine-2,6-dione CAS Name: 3-methyl-7-(3-methylbut-2-enyl)-8-(4-methyl-1-piperazin-4-iumyl)purine-2,6-dione IUPAC Name: 3-methyl-7-(3-methylbut-2-enyl)-8-(4-methylpiperazin-4-ium-1-yl)purine-2,6-dione Traditional Name: 3-methyl-7-(3-methylbut-2-enyl)-8-(4-methylpiperazin-4-ium-1-yl)xanthine Formula: C16H25N6O2+ MolecularWeight: 333.4087

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=C(N=C1N3CC[NH+](CC3)C)N(C(=O)NC2=O)C)C

Isomeric SMILES

CC(=CCN1C2=C(N=C1N3CC[NH+](CC3)C)N(C(=O)NC2=O)C)C

InChI

InChI=1S/C16H24N6O2/c1-11(2)5-6-22-12-13(20(4)16(24)18-14(12)23)17-15(22)21-9-7-19(3)8-10-21/h5H,6-10H2,1-4H3,(H,18,23,24)/p+1