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

Systemtic Name: 3-methyl-7-(2-methylprop-2-enyl)-8-(morpholin-4-ium-4-ylmethyl)purine-2,6-dione Openeye Name: 3-methyl-7-(2-methylallyl)-8-(morpholin-4-ium-4-ylmethyl)purine-2,6-dione CAS Name: 3-methyl-7-(2-methylprop-2-enyl)-8-(4-morpholin-4-iumylmethyl)purine-2,6-dione IUPAC Name: 3-methyl-7-(2-methylprop-2-enyl)-8-(morpholin-4-ium-4-ylmethyl)purine-2,6-dione Traditional Name: 3-methyl-7-(2-methylallyl)-8-(morpholin-4-ium-4-ylmethyl)xanthine Formula: C15H22N5O3+ MolecularWeight: 320.36688

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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/C15H21N5O3/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/h1,4-9H2,2-3H3,(H,17,21,22)/p+1