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

Systemtic Name: 3-methyl-7-[[5-(phenylmethyl)-1,2,4-oxadiazol-3-yl]methyl]purine-2,6-dione Openeye Name: 7-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-3-methyl-purine-2,6-dione CAS Name: 3-methyl-7-[[5-(phenylmethyl)-1,2,4-oxadiazol-3-yl]methyl]purine-2,6-dione IUPAC Name: 7-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylpurine-2,6-dione Traditional Name: 7-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-3-methyl-xanthine Formula: C16H14N6O3 MolecularWeight: 338.32076

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C=N2)CC3=NOC(=N3)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C=N2)CC3=NOC(=N3)CC4=CC=CC=C4

InChI

InChI=1S/C16H14N6O3/c1-21-14-13(15(23)19-16(21)24)22(9-17-14)8-11-18-12(25-20-11)7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,19,23,24)