1,3-dimethyl-7-(2-morpholin-4-ium-4-ylethyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(2-morpholin-4-ium-4-ylethyl)purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(2-morpholin-4-ium-4-ylethyl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-(4-morpholin-4-iumyl)ethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(2-morpholin-4-ium-4-ylethyl)purine-2,6-dione Traditional Name: 1,3-dimethyl-7-(2-morpholin-4-ium-4-ylethyl)xanthine Formula: C13H20N5O3+ MolecularWeight: 294.3296

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC[NH+]3CCOCC3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC[NH+]3CCOCC3

InChI

InChI=1S/C13H19N5O3/c1-15-11-10(12(19)16(2)13(15)20)18(9-14-11)4-3-17-5-7-21-8-6-17/h9H,3-8H2,1-2H3/p+1