(phenylmethyl) 6-azanyl-9-(2-chloranyl-2-oxidanylidene-ethyl)purine-2-carboxylate

Systemtic Name: (phenylmethyl) 6-azanyl-9-(2-chloranyl-2-oxidanylidene-ethyl)purine-2-carboxylate Openeye Name: benzyl 6-amino-9-(2-chloro-2-oxo-ethyl)purine-2-carboxylate CAS Name: 6-amino-9-(2-chloro-2-oxoethyl)-2-purinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-amino-9-(2-chloro-2-oxoethyl)purine-2-carboxylate Traditional Name: 6-amino-9-(2-chloro-2-keto-ethyl)purine-2-carboxylic acid benzyl ester Formula: C15H12ClN5O3 MolecularWeight: 345.74048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2=NC3=C(C(=N2)N)N=CN3CC(=O)Cl

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=NC3=C(C(=N2)N)N=CN3CC(=O)Cl

InChI

InChI=1S/C15H12ClN5O3/c16-10(22)6-21-8-18-11-12(17)19-13(20-14(11)21)15(23)24-7-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,17,19,20)