7-[3-[(diphenylmethyl)amino]propyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[3-[(diphenylmethyl)amino]propyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[3-(benzhydrylamino)propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[3-[(diphenylmethyl)amino]propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[3-(benzhydrylamino)propyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[3-(benzhydrylamino)propyl]-1,3-dimethyl-xanthine Formula: C23H25N5O2 MolecularWeight: 403.4769

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCNC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCNC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H25N5O2/c1-26-21-20(22(29)27(2)23(26)30)28(16-25-21)15-9-14-24-19(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,16,19,24H,9,14-15H2,1-2H3