3-butyl-8-chloranyl-1-[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)butyl]-7H-purine-2,6-dione

Systemtic Name: 3-butyl-8-chloranyl-1-[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)butyl]-7H-purine-2,6-dione Openeye Name: 3-butyl-8-chloro-1-[4-[5-(2-pyridyl)-1,2,4-oxadiazol-3-yl]butyl]-7H-purine-2,6-dione CAS Name: 3-butyl-8-chloro-1-[4-[5-(2-pyridinyl)-1,2,4-oxadiazol-3-yl]butyl]-7H-purine-2,6-dione IUPAC Name: 3-butyl-8-chloro-1-[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)butyl]-7H-purine-2,6-dione Traditional Name: 3-butyl-8-chloro-1-[4-[5-(2-pyridyl)-1,2,4-oxadiazol-3-yl]butyl]-7H-purine-2,6-quinone Formula: C20H22ClN7O3 MolecularWeight: 443.88678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CCCCC3=NOC(=N3)C4=CC=CC=N4)NC(=N2)Cl

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CCCCC3=NOC(=N3)C4=CC=CC=N4)NC(=N2)Cl

InChI

InChI=1S/C20H22ClN7O3/c1-2-3-11-27-16-15(24-19(21)25-16)18(29)28(20(27)30)12-7-5-9-14-23-17(31-26-14)13-8-4-6-10-22-13/h4,6,8,10H,2-3,5,7,9,11-12H2,1H3,(H,24,25)