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

Systemtic Name: 3-[2-(3-aminophenyl)ethyl]-8-(1,3,4-oxadiazol-2-ylmethyl)-1-pentyl-7H-purine-2,6-dione Openeye Name: 3-[2-(3-aminophenyl)ethyl]-8-(1,3,4-oxadiazol-2-ylmethyl)-1-pentyl-7H-purine-2,6-dione CAS Name: 3-[2-(3-aminophenyl)ethyl]-8-(1,3,4-oxadiazol-2-ylmethyl)-1-pentyl-7H-purine-2,6-dione IUPAC Name: 3-[2-(3-aminophenyl)ethyl]-8-(1,3,4-oxadiazol-2-ylmethyl)-1-pentyl-7H-purine-2,6-dione Traditional Name: 3-[2-(3-aminophenyl)ethyl]-1-amyl-8-(1,3,4-oxadiazol-2-ylmethyl)-7H-purine-2,6-quinone Formula: C21H25N7O3 MolecularWeight: 423.4683

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(N=C(N2)CC3=NN=CO3)N(C1=O)CCC4=CC(=CC=C4)N

Isomeric SMILES

CCCCCN1C(=O)C2=C(N=C(N2)CC3=NN=CO3)N(C1=O)CCC4=CC(=CC=C4)N

InChI

InChI=1S/C21H25N7O3/c1-2-3-4-9-28-20(29)18-19(25-16(24-18)12-17-26-23-13-31-17)27(21(28)30)10-8-14-6-5-7-15(22)11-14/h5-7,11,13H,2-4,8-10,12,22H2,1H3,(H,24,25)