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

Systemtic Name: 3-methyl-8-(morpholin-4-ium-4-ylmethyl)-7-pentyl-purine-2,6-dione Openeye Name: 3-methyl-8-(morpholin-4-ium-4-ylmethyl)-7-pentyl-purine-2,6-dione CAS Name: 3-methyl-8-(4-morpholin-4-iumylmethyl)-7-pentylpurine-2,6-dione IUPAC Name: 3-methyl-8-(morpholin-4-ium-4-ylmethyl)-7-pentylpurine-2,6-dione Traditional Name: 7-amyl-3-methyl-8-(morpholin-4-ium-4-ylmethyl)xanthine Formula: C16H26N5O3+ MolecularWeight: 336.40934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N5O3/c1-3-4-5-6-21-12(11-20-7-9-24-10-8-20)17-14-13(21)15(22)18-16(23)19(14)2/h3-11H2,1-2H3,(H,18,22,23)/p+1