7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(morpholin-4-ium-4-ylmethyl)purine-2,6-dione

Systemtic Name: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(morpholin-4-ium-4-ylmethyl)purine-2,6-dione Openeye Name: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(morpholin-4-ium-4-ylmethyl)purine-2,6-dione CAS Name: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(4-morpholin-4-iumylmethyl)purine-2,6-dione IUPAC Name: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(morpholin-4-ium-4-ylmethyl)purine-2,6-dione Traditional Name: 7-(2-chlorobenzyl)-1,3-dimethyl-8-(morpholin-4-ium-4-ylmethyl)xanthine Formula: C19H23ClN5O3+ MolecularWeight: 404.87062

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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=CC=C4Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)C[NH+]3CCOCC3)CC4=CC=CC=C4Cl

InChI

InChI=1S/C19H22ClN5O3/c1-22-17-16(18(26)23(2)19(22)27)25(11-13-5-3-4-6-14(13)20)15(21-17)12-24-7-9-28-10-8-24/h3-6H,7-12H2,1-2H3/p+1