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

Systemtic Name: 1,3,7-trimethyl-8-[(2-oxidanyl-2-phenyl-ethyl)amino]purine-2,6-dione Openeye Name: 8-[(2-hydroxy-2-phenyl-ethyl)amino]-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-[(2-hydroxy-2-phenylethyl)amino]-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-[(2-hydroxy-2-phenylethyl)amino]-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-[(2-hydroxy-2-phenyl-ethyl)amino]-1,3,7-trimethyl-xanthine Formula: C16H19N5O3 MolecularWeight: 329.35376

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1NCC(C3=CC=CC=C3)O)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1NCC(C3=CC=CC=C3)O)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C16H19N5O3/c1-19-12-13(20(2)16(24)21(3)14(12)23)18-15(19)17-9-11(22)10-7-5-4-6-8-10/h4-8,11,22H,9H2,1-3H3,(H,17,18)