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

Systemtic Name: 7-(2-methoxyethyl)-3-methyl-8-(morpholin-4-ium-4-ylmethyl)purine-2,6-dione Openeye Name: 7-(2-methoxyethyl)-3-methyl-8-(morpholin-4-ium-4-ylmethyl)purine-2,6-dione CAS Name: 7-(2-methoxyethyl)-3-methyl-8-(4-morpholin-4-iumylmethyl)purine-2,6-dione IUPAC Name: 7-(2-methoxyethyl)-3-methyl-8-(morpholin-4-ium-4-ylmethyl)purine-2,6-dione Traditional Name: 7-(2-methoxyethyl)-3-methyl-8-(morpholin-4-ium-4-ylmethyl)xanthine Formula: C14H22N5O4+ MolecularWeight: 324.35558

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)C[NH+]3CCOCC3)CCOC

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)C[NH+]3CCOCC3)CCOC

InChI

InChI=1S/C14H21N5O4/c1-17-12-11(13(20)16-14(17)21)19(5-6-22-2)10(15-12)9-18-3-7-23-8-4-18/h3-9H2,1-2H3,(H,16,20,21)/p+1