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

Systemtic Name: 8-chloranyl-1,3-dimethyl-7-[(5-phenyl-1,2-oxazol-3-yl)methyl]purine-2,6-dione Openeye Name: 8-chloro-1,3-dimethyl-7-[(5-phenylisoxazol-3-yl)methyl]purine-2,6-dione CAS Name: 8-chloro-1,3-dimethyl-7-[(5-phenyl-3-isoxazolyl)methyl]purine-2,6-dione IUPAC Name: 8-chloro-1,3-dimethyl-7-[(5-phenyl-1,2-oxazol-3-yl)methyl]purine-2,6-dione Traditional Name: 8-chloro-1,3-dimethyl-7-[(5-phenylisoxazol-3-yl)methyl]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)Cl)CC3=NOC(=C3)C4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC3=NOC(=C3)C4=CC=CC=C4

InChI

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