2-chloranyl-9-pentan-3-yl-N-(phenylmethyl)purin-6-amine

Systemtic Name: 2-chloranyl-9-pentan-3-yl-N-(phenylmethyl)purin-6-amine Openeye Name: N-benzyl-2-chloro-9-(1-ethylpropyl)purin-6-amine CAS Name: 2-chloro-9-pentan-3-yl-N-(phenylmethyl)-6-purinamine IUPAC Name: N-benzyl-2-chloro-9-pentan-3-ylpurin-6-amine Traditional Name: benzyl-[2-chloro-9-(1-ethylpropyl)purin-6-yl]amine Formula: C17H20ClN5 MolecularWeight: 329.8272

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)N1C=NC2=C1N=C(N=C2NCC3=CC=CC=C3)Cl

Isomeric SMILES

CCC(CC)N1C=NC2=C1N=C(N=C2NCC3=CC=CC=C3)Cl

InChI

InChI=1S/C17H20ClN5/c1-3-13(4-2)23-11-20-14-15(21-17(18)22-16(14)23)19-10-12-8-6-5-7-9-12/h5-9,11,13H,3-4,10H2,1-2H3,(H,19,21,22)