7-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[[5-(3-chlorophenyl)oxazol-2-yl]methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[[5-(3-chlorophenyl)-2-oxazolyl]methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[[5-(3-chlorophenyl)oxazol-2-yl]methyl]-1,3-dimethyl-xanthine Formula: C17H14ClN5O3 MolecularWeight: 371.77776

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=NC=C(O3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=NC=C(O3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C17H14ClN5O3/c1-21-15-14(16(24)22(2)17(21)25)23(9-20-15)8-13-19-7-12(26-13)10-4-3-5-11(18)6-10/h3-7,9H,8H2,1-2H3