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

Systemtic Name: 1,3-dimethyl-8-(morpholin-4-ium-4-ylmethyl)-7-pentyl-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-(morpholin-4-ium-4-ylmethyl)-7-pentyl-purine-2,6-dione CAS Name: 1,3-dimethyl-8-(4-morpholin-4-iumylmethyl)-7-pentylpurine-2,6-dione IUPAC Name: 1,3-dimethyl-8-(morpholin-4-ium-4-ylmethyl)-7-pentylpurine-2,6-dione Traditional Name: 7-amyl-1,3-dimethyl-8-(morpholin-4-ium-4-ylmethyl)xanthine Formula: C17H28N5O3+ MolecularWeight: 350.43592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C[NH+]3CCOCC3

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C[NH+]3CCOCC3

InChI

InChI=1S/C17H27N5O3/c1-4-5-6-7-22-13(12-21-8-10-25-11-9-21)18-15-14(22)16(23)20(3)17(24)19(15)2/h4-12H2,1-3H3/p+1