7-(2-methoxyethyl)-3-methyl-8-piperazin-4-ium-1-yl-purine-2,6-dione

Systemtic Name: 7-(2-methoxyethyl)-3-methyl-8-piperazin-4-ium-1-yl-purine-2,6-dione Openeye Name: 7-(2-methoxyethyl)-3-methyl-8-piperazin-4-ium-1-yl-purine-2,6-dione CAS Name: 7-(2-methoxyethyl)-3-methyl-8-(1-piperazin-4-iumyl)purine-2,6-dione IUPAC Name: 7-(2-methoxyethyl)-3-methyl-8-piperazin-4-ium-1-ylpurine-2,6-dione Traditional Name: 7-(2-methoxyethyl)-3-methyl-8-piperazin-4-ium-1-yl-xanthine Formula: C13H21N6O3+ MolecularWeight: 309.34424

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CC[NH2+]CC3)CCOC

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CC[NH2+]CC3)CCOC

InChI

InChI=1S/C13H20N6O3/c1-17-10-9(11(20)16-13(17)21)19(7-8-22-2)12(15-10)18-5-3-14-4-6-18/h14H,3-8H2,1-2H3,(H,16,20,21)/p+1