(phenylmethyl) N-(6-chloranyl-8-oxidanylidene-7H-purin-9-yl)carbamate

Systemtic Name: (phenylmethyl) N-(6-chloranyl-8-oxidanylidene-7H-purin-9-yl)carbamate Openeye Name: benzyl N-(6-chloro-8-oxo-7H-purin-9-yl)carbamate CAS Name: N-(6-chloro-8-oxo-7H-purin-9-yl)carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-(6-chloro-8-oxo-7H-purin-9-yl)carbamate Traditional Name: N-(6-chloro-8-keto-7H-purin-9-yl)carbamic acid benzyl ester Formula: C13H10ClN5O3 MolecularWeight: 319.7032

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NN2C3=C(C(=NC=N3)Cl)NC2=O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NN2C3=C(C(=NC=N3)Cl)NC2=O

InChI

InChI=1S/C13H10ClN5O3/c14-10-9-11(16-7-15-10)19(12(20)17-9)18-13(21)22-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,17,20)(H,18,21)