2-chloranyl-N-[(2S)-2-methylbutyl]-9-(phenylmethyl)purin-6-amine

Systemtic Name: 2-chloranyl-N-[(2S)-2-methylbutyl]-9-(phenylmethyl)purin-6-amine Openeye Name: 9-benzyl-2-chloro-N-[(2S)-2-methylbutyl]purin-6-amine CAS Name: 2-chloro-N-[(2S)-2-methylbutyl]-9-(phenylmethyl)-6-purinamine IUPAC Name: 9-benzyl-2-chloro-N-[(2S)-2-methylbutyl]purin-6-amine Traditional Name: (9-benzyl-2-chloro-purin-6-yl)-[(2S)-2-methylbutyl]amine Formula: C17H20ClN5 MolecularWeight: 329.8272

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CNC1=NC(=NC2=C1N=CN2CC3=CC=CC=C3)Cl

Isomeric SMILES

CC[C@H](C)CNC1=NC(=NC2=C1N=CN2CC3=CC=CC=C3)Cl

InChI

InChI=1S/C17H20ClN5/c1-3-12(2)9-19-15-14-16(22-17(18)21-15)23(11-20-14)10-13-7-5-4-6-8-13/h4-8,11-12H,3,9-10H2,1-2H3,(H,19,21,22)/t12-/m0/s1