3-[2-(1,2,4-oxadiazol-5-yl)ethyl]-8-(phenylmethyl)-1-propyl-7H-purine-2,6-dione

Systemtic Name: 3-[2-(1,2,4-oxadiazol-5-yl)ethyl]-8-(phenylmethyl)-1-propyl-7H-purine-2,6-dione Openeye Name: 8-benzyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1-propyl-7H-purine-2,6-dione CAS Name: 3-[2-(1,2,4-oxadiazol-5-yl)ethyl]-8-(phenylmethyl)-1-propyl-7H-purine-2,6-dione IUPAC Name: 8-benzyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1-propyl-7H-purine-2,6-dione Traditional Name: 8-benzyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1-propyl-7H-purine-2,6-quinone Formula: C19H20N6O3 MolecularWeight: 380.4005

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2)CC3=CC=CC=C3)N(C1=O)CCC4=NC=NO4

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2)CC3=CC=CC=C3)N(C1=O)CCC4=NC=NO4

InChI

InChI=1S/C19H20N6O3/c1-2-9-25-18(26)16-17(23-14(22-16)11-13-6-4-3-5-7-13)24(19(25)27)10-8-15-20-12-21-28-15/h3-7,12H,2,8-11H2,1H3,(H,22,23)