1-cyclohexyl-7-(2-methoxyethyl)-3-phenyl-purine-2,6-dione

Systemtic Name: 1-cyclohexyl-7-(2-methoxyethyl)-3-phenyl-purine-2,6-dione Openeye Name: 1-cyclohexyl-7-(2-methoxyethyl)-3-phenyl-purine-2,6-dione CAS Name: 1-cyclohexyl-7-(2-methoxyethyl)-3-phenylpurine-2,6-dione IUPAC Name: 1-cyclohexyl-7-(2-methoxyethyl)-3-phenylpurine-2,6-dione Traditional Name: 1-cyclohexyl-7-(2-methoxyethyl)-3-phenyl-xanthine Formula: C20H24N4O3 MolecularWeight: 368.42956

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C=NC2=C1C(=O)N(C(=O)N2C3=CC=CC=C3)C4CCCCC4

Isomeric SMILES

COCCN1C=NC2=C1C(=O)N(C(=O)N2C3=CC=CC=C3)C4CCCCC4

InChI

InChI=1S/C20H24N4O3/c1-27-13-12-22-14-21-18-17(22)19(25)24(16-10-6-3-7-11-16)20(26)23(18)15-8-4-2-5-9-15/h2,4-5,8-9,14,16H,3,6-7,10-13H2,1H3