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

Systemtic Name: 3-methyl-7-(2-methylpropyl)-8-(morpholin-4-ium-4-ylmethyl)purine-2,6-dione Openeye Name: 7-isobutyl-3-methyl-8-(morpholin-4-ium-4-ylmethyl)purine-2,6-dione CAS Name: 3-methyl-7-(2-methylpropyl)-8-(4-morpholin-4-iumylmethyl)purine-2,6-dione IUPAC Name: 3-methyl-7-(2-methylpropyl)-8-(morpholin-4-ium-4-ylmethyl)purine-2,6-dione Traditional Name: 7-isobutyl-3-methyl-8-(morpholin-4-ium-4-ylmethyl)xanthine Formula: C15H24N5O3+ MolecularWeight: 322.38276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NC2=C1C(=O)NC(=O)N2C)C[NH+]3CCOCC3

Isomeric SMILES

CC(C)CN1C(=NC2=C1C(=O)NC(=O)N2C)C[NH+]3CCOCC3

InChI

InChI=1S/C15H23N5O3/c1-10(2)8-20-11(9-19-4-6-23-7-5-19)16-13-12(20)14(21)17-15(22)18(13)3/h10H,4-9H2,1-3H3,(H,17,21,22)/p+1