8-[[2-(1,2,4-oxadiazol-3-yl)phenyl]methyl]-3-phenethyl-1-propyl-7H-purine-2,6-dione

Systemtic Name: 8-[[2-(1,2,4-oxadiazol-3-yl)phenyl]methyl]-3-phenethyl-1-propyl-7H-purine-2,6-dione Openeye Name: 8-[[2-(1,2,4-oxadiazol-3-yl)phenyl]methyl]-3-phenethyl-1-propyl-7H-purine-2,6-dione CAS Name: 8-[[2-(1,2,4-oxadiazol-3-yl)phenyl]methyl]-3-phenethyl-1-propyl-7H-purine-2,6-dione IUPAC Name: 8-[[2-(1,2,4-oxadiazol-3-yl)phenyl]methyl]-3-phenethyl-1-propyl-7H-purine-2,6-dione Traditional Name: 8-[2-(1,2,4-oxadiazol-3-yl)benzyl]-3-phenethyl-1-propyl-7H-purine-2,6-quinone Formula: C25H24N6O3 MolecularWeight: 456.49646

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2)CC3=CC=CC=C3C4=NOC=N4)N(C1=O)CCC5=CC=CC=C5

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2)CC3=CC=CC=C3C4=NOC=N4)N(C1=O)CCC5=CC=CC=C5

InChI

InChI=1S/C25H24N6O3/c1-2-13-31-24(32)21-23(30(25(31)33)14-12-17-8-4-3-5-9-17)28-20(27-21)15-18-10-6-7-11-19(18)22-26-16-34-29-22/h3-11,16H,2,12-15H2,1H3,(H,27,28)