1,3-dimethyl-8-piperazin-4-ium-1-yl-7-propan-2-yl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-piperazin-4-ium-1-yl-7-propan-2-yl-purine-2,6-dione Openeye Name: 7-isopropyl-1,3-dimethyl-8-piperazin-4-ium-1-yl-purine-2,6-dione CAS Name: 1,3-dimethyl-8-(1-piperazin-4-iumyl)-7-propan-2-ylpurine-2,6-dione IUPAC Name: 1,3-dimethyl-8-piperazin-4-ium-1-yl-7-propan-2-ylpurine-2,6-dione Traditional Name: 7-isopropyl-1,3-dimethyl-8-piperazin-4-ium-1-yl-xanthine Formula: C14H23N6O2+ MolecularWeight: 307.37142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(N=C1N3CC[NH2+]CC3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(C)N1C2=C(N=C1N3CC[NH2+]CC3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C14H22N6O2/c1-9(2)20-10-11(17(3)14(22)18(4)12(10)21)16-13(20)19-7-5-15-6-8-19/h9,15H,5-8H2,1-4H3/p+1