8-(ethylamino)-1,3-dimethyl-7-(2-oxidanyl-2-phenyl-ethyl)purine-2,6-dione

Systemtic Name: 8-(ethylamino)-1,3-dimethyl-7-(2-oxidanyl-2-phenyl-ethyl)purine-2,6-dione Openeye Name: 8-(ethylamino)-7-(2-hydroxy-2-phenyl-ethyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(ethylamino)-7-(2-hydroxy-2-phenylethyl)-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(ethylamino)-7-(2-hydroxy-2-phenylethyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(ethylamino)-7-(2-hydroxy-2-phenyl-ethyl)-1,3-dimethyl-xanthine Formula: C17H21N5O3 MolecularWeight: 343.38034

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC2=C(N1CC(C3=CC=CC=C3)O)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCNC1=NC2=C(N1CC(C3=CC=CC=C3)O)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C17H21N5O3/c1-4-18-16-19-14-13(15(24)21(3)17(25)20(14)2)22(16)10-12(23)11-8-6-5-7-9-11/h5-9,12,23H,4,10H2,1-3H3,(H,18,19)