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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1NCC(C3=CC=CC=C3)O)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCN1C2=C(N=C1NCC(C3=CC=CC=C3)O)N(C(=O)N(C2=O)C)C

InChI

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