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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C1C(=O)NC(=O)N2C)C[NH+]3CCOCC3

Isomeric SMILES

CCCCN1C(=NC2=C1C(=O)NC(=O)N2C)C[NH+]3CCOCC3

InChI

InChI=1S/C15H23N5O3/c1-3-4-5-20-11(10-19-6-8-23-9-7-19)16-13-12(20)14(21)17-15(22)18(13)2/h3-10H2,1-2H3,(H,17,21,22)/p+1