1,3-dimethyl-7-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[3-(4-methyl-1-piperazine-1,4-diiumyl)propyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]xanthine Formula: C15H26N6O2+2 MolecularWeight: 322.40594

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CCCN2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CCCN2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C15H24N6O2/c1-17-7-9-20(10-8-17)5-4-6-21-11-16-13-12(21)14(22)19(3)15(23)18(13)2/h11H,4-10H2,1-3H3/p+2