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

Systemtic Name: (phenylmethyl) N-[2-azanyl-9-(2-chloranyl-2-oxidanylidene-ethyl)purin-6-yl]carbamate Openeye Name: benzyl N-[2-amino-9-(2-chloro-2-oxo-ethyl)purin-6-yl]carbamate CAS Name: N-[2-amino-9-(2-chloro-2-oxoethyl)-6-purinyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[2-amino-9-(2-chloro-2-oxoethyl)purin-6-yl]carbamate Traditional Name: N-[2-amino-9-(2-chloro-2-keto-ethyl)purin-6-yl]carbamic acid benzyl ester Formula: C15H13ClN6O3 MolecularWeight: 360.75512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13ClN6O3/c16-10(23)6-22-8-18-11-12(19-14(17)21-13(11)22)20-15(24)25-7-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H3,17,19,20,21,24)