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

Systemtic Name: 1,3-dimethyl-8-(morpholin-4-ium-4-ylmethyl)-7-(naphthalen-1-ylmethyl)purine-2,6-dione Openeye Name: 1,3-dimethyl-8-(morpholin-4-ium-4-ylmethyl)-7-(1-naphthylmethyl)purine-2,6-dione CAS Name: 1,3-dimethyl-8-(4-morpholin-4-iumylmethyl)-7-(1-naphthalenylmethyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-(morpholin-4-ium-4-ylmethyl)-7-(naphthalen-1-ylmethyl)purine-2,6-dione Traditional Name: 1,3-dimethyl-8-(morpholin-4-ium-4-ylmethyl)-7-(1-naphthylmethyl)xanthine Formula: C23H26N5O3+ MolecularWeight: 420.48424

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)C[NH+]3CCOCC3)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)C[NH+]3CCOCC3)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C23H25N5O3/c1-25-21-20(22(29)26(2)23(25)30)28(19(24-21)15-27-10-12-31-13-11-27)14-17-8-5-7-16-6-3-4-9-18(16)17/h3-9H,10-15H2,1-2H3/p+1