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

Systemtic Name: 7-(2-methoxyethyl)-1,3-dimethyl-8-piperazin-4-ium-1-yl-purine-2,6-dione Openeye Name: 7-(2-methoxyethyl)-1,3-dimethyl-8-piperazin-4-ium-1-yl-purine-2,6-dione CAS Name: 7-(2-methoxyethyl)-1,3-dimethyl-8-(1-piperazin-4-iumyl)purine-2,6-dione IUPAC Name: 7-(2-methoxyethyl)-1,3-dimethyl-8-piperazin-4-ium-1-ylpurine-2,6-dione Traditional Name: 7-(2-methoxyethyl)-1,3-dimethyl-8-piperazin-4-ium-1-yl-xanthine Formula: C14H23N6O3+ MolecularWeight: 323.37082

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CC[NH2+]CC3)CCOC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CC[NH2+]CC3)CCOC

InChI

InChI=1S/C14H22N6O3/c1-17-11-10(12(21)18(2)14(17)22)20(8-9-23-3)13(16-11)19-6-4-15-5-7-19/h15H,4-9H2,1-3H3/p+1