3-methyl-7-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]purine-2,6-dione

Systemtic Name: 3-methyl-7-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]purine-2,6-dione Openeye Name: 3-methyl-7-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]purine-2,6-dione CAS Name: 3-methyl-7-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]purine-2,6-dione IUPAC Name: 3-methyl-7-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]purine-2,6-dione Traditional Name: 3-methyl-7-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]xanthine Formula: C15H12N6O3 MolecularWeight: 324.29418

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C=N2)CC3=NOC(=N3)C4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C=N2)CC3=NOC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C15H12N6O3/c1-20-12-11(13(22)18-15(20)23)21(8-16-12)7-10-17-14(24-19-10)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,18,22,23)