8-tert-butyl-3-(3-morpholin-4-ylpropyl)-7-(phenylmethyl)-1-propyl-purine-2,6-dione

Systemtic Name: 8-tert-butyl-3-(3-morpholin-4-ylpropyl)-7-(phenylmethyl)-1-propyl-purine-2,6-dione Openeye Name: 7-benzyl-8-tert-butyl-3-(3-morpholinopropyl)-1-propyl-purine-2,6-dione CAS Name: 8-tert-butyl-3-[3-(4-morpholinyl)propyl]-7-(phenylmethyl)-1-propylpurine-2,6-dione IUPAC Name: 7-benzyl-8-tert-butyl-3-(3-morpholin-4-ylpropyl)-1-propylpurine-2,6-dione Traditional Name: 7-benzyl-8-tert-butyl-3-(3-morpholinopropyl)-1-propyl-xanthine Formula: C26H37N5O3 MolecularWeight: 467.60368

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)C(C)(C)C)N(C1=O)CCCN4CCOCC4

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)C(C)(C)C)N(C1=O)CCCN4CCOCC4

InChI

InChI=1S/C26H37N5O3/c1-5-12-30-23(32)21-22(29(25(30)33)14-9-13-28-15-17-34-18-16-28)27-24(26(2,3)4)31(21)19-20-10-7-6-8-11-20/h6-8,10-11H,5,9,12-19H2,1-4H3