3-methyl-8-(morpholin-4-ium-4-ylmethyl)-7-[(2R)-3-oxidanylidenebutan-2-yl]purine-2,6-dione

Systemtic Name: 3-methyl-8-(morpholin-4-ium-4-ylmethyl)-7-[(2R)-3-oxidanylidenebutan-2-yl]purine-2,6-dione Openeye Name: 3-methyl-7-[(1R)-1-methyl-2-oxo-propyl]-8-(morpholin-4-ium-4-ylmethyl)purine-2,6-dione CAS Name: 3-methyl-8-(4-morpholin-4-iumylmethyl)-7-[(2R)-3-oxobutan-2-yl]purine-2,6-dione IUPAC Name: 3-methyl-8-(morpholin-4-ium-4-ylmethyl)-7-[(2R)-3-oxobutan-2-yl]purine-2,6-dione Traditional Name: 7-[(1R)-2-keto-1-methyl-propyl]-3-methyl-8-(morpholin-4-ium-4-ylmethyl)xanthine Formula: C15H22N5O4+ MolecularWeight: 336.36628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)N1C(=NC2=C1C(=O)NC(=O)N2C)C[NH+]3CCOCC3

Isomeric SMILES

C[C@H](C(=O)C)N1C(=NC2=C1C(=O)NC(=O)N2C)C[NH+]3CCOCC3

InChI

InChI=1S/C15H21N5O4/c1-9(10(2)21)20-11(8-19-4-6-24-7-5-19)16-13-12(20)14(22)17-15(23)18(13)3/h9H,4-8H2,1-3H3,(H,17,22,23)/p+1/t9-/m1/s1