(phenylmethyl) N-[9-(2-chloranyl-2-oxidanylidene-ethyl)purin-6-yl]carbamate

Systemtic Name: (phenylmethyl) N-[9-(2-chloranyl-2-oxidanylidene-ethyl)purin-6-yl]carbamate Openeye Name: benzyl N-[9-(2-chloro-2-oxo-ethyl)purin-6-yl]carbamate CAS Name: N-[9-(2-chloro-2-oxoethyl)-6-purinyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[9-(2-chloro-2-oxoethyl)purin-6-yl]carbamate Traditional Name: N-[9-(2-chloro-2-keto-ethyl)purin-6-yl]carbamic acid benzyl ester Formula: C15H12ClN5O3 MolecularWeight: 345.74048

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC2=NC=NC3=C2N=CN3CC(=O)Cl

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC2=NC=NC3=C2N=CN3CC(=O)Cl

InChI

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