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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=NC2=C1C(=O)NC(=O)N2C)C[NH+]3CCOCC3

Isomeric SMILES

CCCCCCN1C(=NC2=C1C(=O)NC(=O)N2C)C[NH+]3CCOCC3

InChI

InChI=1S/C17H27N5O3/c1-3-4-5-6-7-22-13(12-21-8-10-25-11-9-21)18-15-14(22)16(23)19-17(24)20(15)2/h3-12H2,1-2H3,(H,19,23,24)/p+1