1,3,7-trimethyl-8-(2-morpholin-4-ium-4-ylethylamino)purine-2,6-dione

Systemtic Name: 1,3,7-trimethyl-8-(2-morpholin-4-ium-4-ylethylamino)purine-2,6-dione Openeye Name: 1,3,7-trimethyl-8-(2-morpholin-4-ium-4-ylethylamino)purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-[2-(4-morpholin-4-iumyl)ethylamino]purine-2,6-dione IUPAC Name: 1,3,7-trimethyl-8-(2-morpholin-4-ium-4-ylethylamino)purine-2,6-dione Traditional Name: 1,3,7-trimethyl-8-(2-morpholin-4-ium-4-ylethylamino)xanthine Formula: C14H23N6O3+ MolecularWeight: 323.37082

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1NCC[NH+]3CCOCC3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1NCC[NH+]3CCOCC3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C14H22N6O3/c1-17-10-11(18(2)14(22)19(3)12(10)21)16-13(17)15-4-5-20-6-8-23-9-7-20/h4-9H2,1-3H3,(H,15,16)/p+1