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

Systemtic Name: N-[4-[[2-chloranyl-9-(phenylmethyl)purin-6-yl]amino]phenyl]ethanamide Openeye Name: N-[4-[(9-benzyl-2-chloro-purin-6-yl)amino]phenyl]acetamide CAS Name: N-[4-[[2-chloro-9-(phenylmethyl)-6-purinyl]amino]phenyl]acetamide IUPAC Name: N-[4-[(9-benzyl-2-chloropurin-6-yl)amino]phenyl]acetamide Traditional Name: N-[4-[(9-benzyl-2-chloro-purin-6-yl)amino]phenyl]acetamide Formula: C20H17ClN6O MolecularWeight: 392.84158

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC2=NC(=NC3=C2N=CN3CC4=CC=CC=C4)Cl

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC2=NC(=NC3=C2N=CN3CC4=CC=CC=C4)Cl

InChI

InChI=1S/C20H17ClN6O/c1-13(28)23-15-7-9-16(10-8-15)24-18-17-19(26-20(21)25-18)27(12-22-17)11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,23,28)(H,24,25,26)