7-[(2S)-2-ethylhexyl]-1,3-dimethyl-8-phenoxy-purine-2,6-dione

Systemtic Name: 7-[(2S)-2-ethylhexyl]-1,3-dimethyl-8-phenoxy-purine-2,6-dione Openeye Name: 7-[(2S)-2-ethylhexyl]-1,3-dimethyl-8-phenoxy-purine-2,6-dione CAS Name: 7-[(2S)-2-ethylhexyl]-1,3-dimethyl-8-phenoxypurine-2,6-dione IUPAC Name: 7-[(2S)-2-ethylhexyl]-1,3-dimethyl-8-phenoxypurine-2,6-dione Traditional Name: 7-[(2S)-2-ethylhexyl]-1,3-dimethyl-8-phenoxy-xanthine Formula: C21H28N4O3 MolecularWeight: 384.47202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CN1C2=C(N=C1OC3=CC=CC=C3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCC[C@H](CC)CN1C2=C(N=C1OC3=CC=CC=C3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C21H28N4O3/c1-5-7-11-15(6-2)14-25-17-18(23(3)21(27)24(4)19(17)26)22-20(25)28-16-12-9-8-10-13-16/h8-10,12-13,15H,5-7,11,14H2,1-4H3/t15-/m0/s1