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

Systemtic Name: 7-[2-(2-hydroxyethylamino)ethyl]-1,3-dimethyl-8-(phenylmethyl)purine-2,6-dione Openeye Name: 8-benzyl-7-[2-(2-hydroxyethylamino)ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-(2-hydroxyethylamino)ethyl]-1,3-dimethyl-8-(phenylmethyl)purine-2,6-dione IUPAC Name: 8-benzyl-7-[2-(2-hydroxyethylamino)ethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-benzyl-7-[2-(2-hydroxyethylamino)ethyl]-1,3-dimethyl-xanthine Formula: C18H23N5O3 MolecularWeight: 357.40692

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CC3=CC=CC=C3)CCNCCO

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CC3=CC=CC=C3)CCNCCO

InChI

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