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

Systemtic Name: 1,3-dimethyl-7-[(5-phenyl-1,3-oxazol-2-yl)methyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[(5-phenyloxazol-2-yl)methyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[(5-phenyl-2-oxazolyl)methyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[(5-phenyl-1,3-oxazol-2-yl)methyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[(5-phenyloxazol-2-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=NC=C(O3)C4=CC=CC=C4

Isomeric SMILES

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

InChI

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