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

Systemtic Name: 1,3-dimethyl-8-(morpholin-4-ium-4-ylmethyl)-7-phenethyl-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-(morpholin-4-ium-4-ylmethyl)-7-phenethyl-purine-2,6-dione CAS Name: 1,3-dimethyl-8-(4-morpholin-4-iumylmethyl)-7-phenethylpurine-2,6-dione IUPAC Name: 1,3-dimethyl-8-(morpholin-4-ium-4-ylmethyl)-7-phenethylpurine-2,6-dione Traditional Name: 1,3-dimethyl-8-(morpholin-4-ium-4-ylmethyl)-7-phenethyl-xanthine Formula: C20H26N5O3+ MolecularWeight: 384.45214

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)C[NH+]3CCOCC3)CCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)C[NH+]3CCOCC3)CCC4=CC=CC=C4

InChI

InChI=1S/C20H25N5O3/c1-22-18-17(19(26)23(2)20(22)27)25(9-8-15-6-4-3-5-7-15)16(21-18)14-24-10-12-28-13-11-24/h3-7H,8-14H2,1-2H3/p+1