7-ethyl-3-methyl-8-(morpholin-4-ium-4-ylmethyl)purine-2,6-dione

Systemtic Name: 7-ethyl-3-methyl-8-(morpholin-4-ium-4-ylmethyl)purine-2,6-dione Openeye Name: 7-ethyl-3-methyl-8-(morpholin-4-ium-4-ylmethyl)purine-2,6-dione CAS Name: 7-ethyl-3-methyl-8-(4-morpholin-4-iumylmethyl)purine-2,6-dione IUPAC Name: 7-ethyl-3-methyl-8-(morpholin-4-ium-4-ylmethyl)purine-2,6-dione Traditional Name: 7-ethyl-3-methyl-8-(morpholin-4-ium-4-ylmethyl)xanthine Formula: C13H20N5O3+ MolecularWeight: 294.3296

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NC2=C1C(=O)NC(=O)N2C)C[NH+]3CCOCC3

Isomeric SMILES

CCN1C(=NC2=C1C(=O)NC(=O)N2C)C[NH+]3CCOCC3

InChI

InChI=1S/C13H19N5O3/c1-3-18-9(8-17-4-6-21-7-5-17)14-11-10(18)12(19)15-13(20)16(11)2/h3-8H2,1-2H3,(H,15,19,20)/p+1