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

Systemtic Name: 1-cyclohexyl-7-(2-oxidanylidenebutyl)-3-phenyl-purine-2,6-dione Openeye Name: 1-cyclohexyl-7-(2-oxobutyl)-3-phenyl-purine-2,6-dione CAS Name: 1-cyclohexyl-7-(2-oxobutyl)-3-phenylpurine-2,6-dione IUPAC Name: 1-cyclohexyl-7-(2-oxobutyl)-3-phenylpurine-2,6-dione Traditional Name: 1-cyclohexyl-7-(2-ketobutyl)-3-phenyl-xanthine Formula: C21H24N4O3 MolecularWeight: 380.44026

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CN1C=NC2=C1C(=O)N(C(=O)N2C3=CC=CC=C3)C4CCCCC4

Isomeric SMILES

CCC(=O)CN1C=NC2=C1C(=O)N(C(=O)N2C3=CC=CC=C3)C4CCCCC4

InChI

InChI=1S/C21H24N4O3/c1-2-17(26)13-23-14-22-19-18(23)20(27)25(16-11-7-4-8-12-16)21(28)24(19)15-9-5-3-6-10-15/h3,5-6,9-10,14,16H,2,4,7-8,11-13H2,1H3