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

Systemtic Name: 1,3-dimethyl-8-(morpholin-4-ium-4-ylmethyl)-7-propyl-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-(morpholin-4-ium-4-ylmethyl)-7-propyl-purine-2,6-dione CAS Name: 1,3-dimethyl-8-(4-morpholin-4-iumylmethyl)-7-propylpurine-2,6-dione IUPAC Name: 1,3-dimethyl-8-(morpholin-4-ium-4-ylmethyl)-7-propylpurine-2,6-dione Traditional Name: 1,3-dimethyl-8-(morpholin-4-ium-4-ylmethyl)-7-propyl-xanthine Formula: C15H24N5O3+ MolecularWeight: 322.38276

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C[NH+]3CCOCC3

Isomeric SMILES

CCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C[NH+]3CCOCC3

InChI

InChI=1S/C15H23N5O3/c1-4-5-20-11(10-19-6-8-23-9-7-19)16-13-12(20)14(21)18(3)15(22)17(13)2/h4-10H2,1-3H3/p+1