1,3-dimethyl-7-[[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[[(5R)-3-phenyl-4,5-dihydroisoxazol-5-yl]methyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[[(5R)-3-phenyl-4,5-dihydroisoxazol-5-yl]methyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[[(5R)-3-phenyl-2-isoxazolin-5-yl]methyl]xanthine Formula: C17H17N5O3 MolecularWeight: 339.34858

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3CC(=NO3)C4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)C[C@H]3CC(=NO3)C4=CC=CC=C4

InChI

InChI=1S/C17H17N5O3/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/h3-7,10,12H,8-9H2,1-2H3/t12-/m1/s1