1,3-dimethyl-7-[3-(4-methylpiperazin-4-ium-1-yl)-3-oxidanylidene-propyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[3-(4-methylpiperazin-4-ium-1-yl)-3-oxidanylidene-propyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[3-(4-methylpiperazin-4-ium-1-yl)-3-oxo-propyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[3-(4-methyl-1-piperazin-4-iumyl)-3-oxopropyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[3-(4-methylpiperazin-4-ium-1-yl)-3-oxopropyl]purine-2,6-dione Traditional Name: 7-[3-keto-3-(4-methylpiperazin-4-ium-1-yl)propyl]-1,3-dimethyl-xanthine Formula: C15H23N6O3+ MolecularWeight: 335.38152

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CCN2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CCN2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C15H22N6O3/c1-17-6-8-20(9-7-17)11(22)4-5-21-10-16-13-12(21)14(23)19(3)15(24)18(13)2/h10H,4-9H2,1-3H3/p+1