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

Systemtic Name: 8-(4-tert-butylphenyl)-7-(2-morpholin-4-ium-4-ylethyl)-3-propyl-purine-2,6-dione Openeye Name: 8-(4-tert-butylphenyl)-7-(2-morpholin-4-ium-4-ylethyl)-3-propyl-purine-2,6-dione CAS Name: 8-(4-tert-butylphenyl)-7-[2-(4-morpholin-4-iumyl)ethyl]-3-propylpurine-2,6-dione IUPAC Name: 8-(4-tert-butylphenyl)-7-(2-morpholin-4-ium-4-ylethyl)-3-propylpurine-2,6-dione Traditional Name: 8-(4-tert-butylphenyl)-7-(2-morpholin-4-ium-4-ylethyl)-3-propyl-xanthine Formula: C24H34N5O3+ MolecularWeight: 440.55846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33N5O3/c1-5-10-29-21-19(22(30)26-23(29)31)28(12-11-27-13-15-32-16-14-27)20(25-21)17-6-8-18(9-7-17)24(2,3)4/h6-9H,5,10-16H2,1-4H3,(H,26,30,31)/p+1