8-[2-(dibutylamino)ethylamino]-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-[2-(dibutylamino)ethylamino]-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-[2-(dibutylamino)ethylamino]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[2-(dibutylamino)ethylamino]-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-[2-(dibutylamino)ethylamino]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-benzyl-8-[2-(dibutylamino)ethylamino]-1,3-dimethyl-xanthine Formula: C24H36N6O2 MolecularWeight: 440.58164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CCNC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCCN(CCCC)CCNC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C24H36N6O2/c1-5-7-15-29(16-8-6-2)17-14-25-23-26-21-20(22(31)28(4)24(32)27(21)3)30(23)18-19-12-10-9-11-13-19/h9-13H,5-8,14-18H2,1-4H3,(H,25,26)