9-butan-2-yl-2-chloranyl-N-[(4-phenylphenyl)methyl]purin-6-amine

Systemtic Name: 9-butan-2-yl-2-chloranyl-N-[(4-phenylphenyl)methyl]purin-6-amine Openeye Name: 2-chloro-N-[(4-phenylphenyl)methyl]-9-sec-butyl-purin-6-amine CAS Name: 9-butan-2-yl-2-chloro-N-[(4-phenylphenyl)methyl]-6-purinamine IUPAC Name: 9-butan-2-yl-2-chloro-N-[(4-phenylphenyl)methyl]purin-6-amine Traditional Name: (2-chloro-9-sec-butyl-purin-6-yl)-(4-phenylbenzyl)amine Formula: C22H22ClN5 MolecularWeight: 391.89658

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

CCC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C22H22ClN5/c1-3-15(2)28-14-25-19-20(26-22(23)27-21(19)28)24-13-16-9-11-18(12-10-16)17-7-5-4-6-8-17/h4-12,14-15H,3,13H2,1-2H3,(H,24,26,27)