1,3-dimethyl-7-(2-methylprop-2-enyl)-8-(morpholin-4-ium-4-ylmethyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(2-methylprop-2-enyl)-8-(morpholin-4-ium-4-ylmethyl)purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(2-methylallyl)-8-(morpholin-4-ium-4-ylmethyl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-(2-methylprop-2-enyl)-8-(4-morpholin-4-iumylmethyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(2-methylprop-2-enyl)-8-(morpholin-4-ium-4-ylmethyl)purine-2,6-dione Traditional Name: 1,3-dimethyl-7-(2-methylallyl)-8-(morpholin-4-ium-4-ylmethyl)xanthine Formula: C16H24N5O3+ MolecularWeight: 334.39346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N5O3/c1-11(2)9-21-12(10-20-5-7-24-8-6-20)17-14-13(21)15(22)19(4)16(23)18(14)3/h1,5-10H2,2-4H3/p+1