8-(3-chlorophenyl)-7-(2-morpholin-4-ium-4-ylethyl)-3-propyl-purine-2,6-dione

Systemtic Name: 8-(3-chlorophenyl)-7-(2-morpholin-4-ium-4-ylethyl)-3-propyl-purine-2,6-dione Openeye Name: 8-(3-chlorophenyl)-7-(2-morpholin-4-ium-4-ylethyl)-3-propyl-purine-2,6-dione CAS Name: 8-(3-chlorophenyl)-7-[2-(4-morpholin-4-iumyl)ethyl]-3-propylpurine-2,6-dione IUPAC Name: 8-(3-chlorophenyl)-7-(2-morpholin-4-ium-4-ylethyl)-3-propylpurine-2,6-dione Traditional Name: 8-(3-chlorophenyl)-7-(2-morpholin-4-ium-4-ylethyl)-3-propyl-xanthine Formula: C20H25ClN5O3+ MolecularWeight: 418.8972

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC(=CC=C3)Cl)CC[NH+]4CCOCC4

Isomeric SMILES

CCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC(=CC=C3)Cl)CC[NH+]4CCOCC4

InChI

InChI=1S/C20H24ClN5O3/c1-2-6-26-18-16(19(27)23-20(26)28)25(8-7-24-9-11-29-12-10-24)17(22-18)14-4-3-5-15(21)13-14/h3-5,13H,2,6-12H2,1H3,(H,23,27,28)/p+1