7-[2-[[(4-methoxyphenyl)-phenyl-methyl]amino]ethyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[2-[[(4-methoxyphenyl)-phenyl-methyl]amino]ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-[[(4-methoxyphenyl)-phenyl-methyl]amino]ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-[[(4-methoxyphenyl)-phenylmethyl]amino]ethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-[[(4-methoxyphenyl)-phenylmethyl]amino]ethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-[[(4-methoxyphenyl)-phenyl-methyl]amino]ethyl]-1,3-dimethyl-xanthine Formula: C23H25N5O3 MolecularWeight: 419.4763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N5O3/c1-26-21-20(22(29)27(2)23(26)30)28(15-25-21)14-13-24-19(16-7-5-4-6-8-16)17-9-11-18(31-3)12-10-17/h4-12,15,19,24H,13-14H2,1-3H3