3-[2-(1,3,4-oxadiazol-2-yl)ethyl]-1-pentyl-8-(phenylmethyl)-7H-purine-2,6-dione

Systemtic Name: 3-[2-(1,3,4-oxadiazol-2-yl)ethyl]-1-pentyl-8-(phenylmethyl)-7H-purine-2,6-dione Openeye Name: 8-benzyl-3-[2-(1,3,4-oxadiazol-2-yl)ethyl]-1-pentyl-7H-purine-2,6-dione CAS Name: 3-[2-(1,3,4-oxadiazol-2-yl)ethyl]-1-pentyl-8-(phenylmethyl)-7H-purine-2,6-dione IUPAC Name: 8-benzyl-3-[2-(1,3,4-oxadiazol-2-yl)ethyl]-1-pentyl-7H-purine-2,6-dione Traditional Name: 1-amyl-8-benzyl-3-[2-(1,3,4-oxadiazol-2-yl)ethyl]-7H-purine-2,6-quinone Formula: C21H24N6O3 MolecularWeight: 408.45366

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(N=C(N2)CC3=CC=CC=C3)N(C1=O)CCC4=NN=CO4

Isomeric SMILES

CCCCCN1C(=O)C2=C(N=C(N2)CC3=CC=CC=C3)N(C1=O)CCC4=NN=CO4

InChI

InChI=1S/C21H24N6O3/c1-2-3-7-11-27-20(28)18-19(24-16(23-18)13-15-8-5-4-6-9-15)26(21(27)29)12-10-17-25-22-14-30-17/h4-6,8-9,14H,2-3,7,10-13H2,1H3,(H,23,24)