9-[(4-tert-butylphenyl)methyl]-2-chloranyl-N,N-dimethyl-purin-6-amine

Systemtic Name: 9-[(4-tert-butylphenyl)methyl]-2-chloranyl-N,N-dimethyl-purin-6-amine Openeye Name: 9-[(4-tert-butylphenyl)methyl]-2-chloro-N,N-dimethyl-purin-6-amine CAS Name: 9-[(4-tert-butylphenyl)methyl]-2-chloro-N,N-dimethyl-6-purinamine IUPAC Name: 9-[(4-tert-butylphenyl)methyl]-2-chloro-N,N-dimethylpurin-6-amine Traditional Name: [9-(4-tert-butylbenzyl)-2-chloro-purin-6-yl]-dimethyl-amine Formula: C18H22ClN5 MolecularWeight: 343.85378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2C=NC3=C2N=C(N=C3N(C)C)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2C=NC3=C2N=C(N=C3N(C)C)Cl

InChI

InChI=1S/C18H22ClN5/c1-18(2,3)13-8-6-12(7-9-13)10-24-11-20-14-15(23(4)5)21-17(19)22-16(14)24/h6-9,11H,10H2,1-5H3