8-ethyl-1-methyl-7-(phenylmethoxymethyl)-3-(2,4,6-trimethylphenyl)purine-2,6-dione

Systemtic Name: 8-ethyl-1-methyl-7-(phenylmethoxymethyl)-3-(2,4,6-trimethylphenyl)purine-2,6-dione Openeye Name: 7-(benzyloxymethyl)-8-ethyl-1-methyl-3-(2,4,6-trimethylphenyl)purine-2,6-dione CAS Name: 8-ethyl-1-methyl-7-(phenylmethoxymethyl)-3-(2,4,6-trimethylphenyl)purine-2,6-dione IUPAC Name: 8-ethyl-1-methyl-7-(phenylmethoxymethyl)-3-(2,4,6-trimethylphenyl)purine-2,6-dione Traditional Name: 7-(benzoxymethyl)-8-ethyl-3-mesityl-1-methyl-xanthine Formula: C25H28N4O3 MolecularWeight: 432.51482

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1COCC3=CC=CC=C3)C(=O)N(C(=O)N2C4=C(C=C(C=C4C)C)C)C

Isomeric SMILES

CCC1=NC2=C(N1COCC3=CC=CC=C3)C(=O)N(C(=O)N2C4=C(C=C(C=C4C)C)C)C

InChI

InChI=1S/C25H28N4O3/c1-6-20-26-23-22(28(20)15-32-14-19-10-8-7-9-11-19)24(30)27(5)25(31)29(23)21-17(3)12-16(2)13-18(21)4/h7-13H,6,14-15H2,1-5H3