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

Systemtic Name: 1,3-dimethyl-7-[(3-phenyl-1,2-oxazol-5-yl)methyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[(3-phenylisoxazol-5-yl)methyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[(3-phenyl-5-isoxazolyl)methyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[(3-phenyl-1,2-oxazol-5-yl)methyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[(3-phenylisoxazol-5-yl)methyl]xanthine Formula: C17H15N5O3 MolecularWeight: 337.3327

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=CC(=NO3)C4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=CC(=NO3)C4=CC=CC=C4

InChI

InChI=1S/C17H15N5O3/c1-20-15-14(16(23)21(2)17(20)24)22(10-18-15)9-12-8-13(19-25-12)11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3