9-tert-butyl-2-chloranyl-N-(phenylmethyl)purin-6-amine

Systemtic Name: 9-tert-butyl-2-chloranyl-N-(phenylmethyl)purin-6-amine Openeye Name: N-benzyl-9-tert-butyl-2-chloro-purin-6-amine CAS Name: 9-tert-butyl-2-chloro-N-(phenylmethyl)-6-purinamine IUPAC Name: N-benzyl-9-tert-butyl-2-chloropurin-6-amine Traditional Name: benzyl-(9-tert-butyl-2-chloro-purin-6-yl)amine Formula: C16H18ClN5 MolecularWeight: 315.80062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClN5/c1-16(2,3)22-10-19-12-13(20-15(17)21-14(12)22)18-9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H,18,20,21)