1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-7-(2-methoxyethyl)-8-methyl-3-propyl-purine-2,6-dione

Systemtic Name: 1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-7-(2-methoxyethyl)-8-methyl-3-propyl-purine-2,6-dione Openeye Name: 1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-7-(2-methoxyethyl)-8-methyl-3-propyl-purine-2,6-dione CAS Name: 1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-7-(2-methoxyethyl)-8-methyl-3-propylpurine-2,6-dione IUPAC Name: 1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-7-(2-methoxyethyl)-8-methyl-3-propylpurine-2,6-dione Traditional Name: 1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-7-(2-methoxyethyl)-8-methyl-3-propyl-xanthine Formula: C21H23ClN6O4 MolecularWeight: 458.89812

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CC3=NN=C(O3)C4=CC=C(C=C4)Cl)N(C(=N2)C)CCOC

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CC3=NN=C(O3)C4=CC=C(C=C4)Cl)N(C(=N2)C)CCOC

InChI

InChI=1S/C21H23ClN6O4/c1-4-9-27-18-17(26(10-11-31-3)13(2)23-18)20(29)28(21(27)30)12-16-24-25-19(32-16)14-5-7-15(22)8-6-14/h5-8H,4,9-12H2,1-3H3