8-chloranyl-1-(2-hydroxyethyl)-3-pentyl-7H-purine-2,6-dione

Systemtic Name: 8-chloranyl-1-(2-hydroxyethyl)-3-pentyl-7H-purine-2,6-dione Openeye Name: 8-chloro-1-(2-hydroxyethyl)-3-pentyl-7H-purine-2,6-dione CAS Name: 8-chloro-1-(2-hydroxyethyl)-3-pentyl-7H-purine-2,6-dione IUPAC Name: 8-chloro-1-(2-hydroxyethyl)-3-pentyl-7H-purine-2,6-dione Traditional Name: 3-amyl-8-chloro-1-(2-hydroxyethyl)-7H-purine-2,6-quinone Formula: C12H17ClN4O3 MolecularWeight: 300.74138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(C(=O)N(C1=O)CCO)NC(=N2)Cl

Isomeric SMILES

CCCCCN1C2=C(C(=O)N(C1=O)CCO)NC(=N2)Cl

InChI

InChI=1S/C12H17ClN4O3/c1-2-3-4-5-16-9-8(14-11(13)15-9)10(19)17(6-7-18)12(16)20/h18H,2-7H2,1H3,(H,14,15)