3-[2-[2-hydroxyethyl-(phenylmethyl)amino]ethyl]-1,7-dimethyl-purine-2,6-dione

Systemtic Name: 3-[2-[2-hydroxyethyl-(phenylmethyl)amino]ethyl]-1,7-dimethyl-purine-2,6-dione Openeye Name: 3-[2-[benzyl(2-hydroxyethyl)amino]ethyl]-1,7-dimethyl-purine-2,6-dione CAS Name: 3-[2-[2-hydroxyethyl-(phenylmethyl)amino]ethyl]-1,7-dimethylpurine-2,6-dione IUPAC Name: 3-[2-[benzyl(2-hydroxyethyl)amino]ethyl]-1,7-dimethylpurine-2,6-dione Traditional Name: 3-[2-[benzyl(2-hydroxyethyl)amino]ethyl]-1,7-dimethyl-xanthine Formula: C18H23N5O3 MolecularWeight: 357.40692

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2CCN(CCO)CC3=CC=CC=C3)C

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2CCN(CCO)CC3=CC=CC=C3)C

InChI

InChI=1S/C18H23N5O3/c1-20-13-19-16-15(20)17(25)21(2)18(26)23(16)9-8-22(10-11-24)12-14-6-4-3-5-7-14/h3-7,13,24H,8-12H2,1-2H3