(phenylmethyl) N-[4-[(2-chloranyl-9-ethyl-purin-6-yl)amino]phenyl]carbamate

Systemtic Name: (phenylmethyl) N-[4-[(2-chloranyl-9-ethyl-purin-6-yl)amino]phenyl]carbamate Openeye Name: benzyl N-[4-[(2-chloro-9-ethyl-purin-6-yl)amino]phenyl]carbamate CAS Name: N-[4-[(2-chloro-9-ethyl-6-purinyl)amino]phenyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[4-[(2-chloro-9-ethylpurin-6-yl)amino]phenyl]carbamate Traditional Name: N-[4-[(2-chloro-9-ethyl-purin-6-yl)amino]phenyl]carbamic acid benzyl ester Formula: C21H19ClN6O2 MolecularWeight: 422.86756

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=CC=C(C=C3)NC(=O)OCC4=CC=CC=C4)Cl

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC=C(C=C3)NC(=O)OCC4=CC=CC=C4)Cl

InChI

InChI=1S/C21H19ClN6O2/c1-2-28-13-23-17-18(26-20(22)27-19(17)28)24-15-8-10-16(11-9-15)25-21(29)30-12-14-6-4-3-5-7-14/h3-11,13H,2,12H2,1H3,(H,25,29)(H,24,26,27)