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

Systemtic Name: 3-butyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-3-butyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]purine-2,6-dione CAS Name: 3-butyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-3-butyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]purine-2,6-dione Traditional Name: 7-benzyl-3-butyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]xanthine Formula: C20H22N6O3 MolecularWeight: 394.42708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CC3=NN=C(O3)C)N(C=N2)CC4=CC=CC=C4

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CC3=NN=C(O3)C)N(C=N2)CC4=CC=CC=C4

InChI

InChI=1S/C20H22N6O3/c1-3-4-10-25-18-17(24(13-21-18)11-15-8-6-5-7-9-15)19(27)26(20(25)28)12-16-23-22-14(2)29-16/h5-9,13H,3-4,10-12H2,1-2H3