N,3-bis[(3-chlorophenyl)methyl]-N-(phenylmethyl)-7H-purin-3-ium-6-amine

Systemtic Name: N,3-bis[(3-chlorophenyl)methyl]-N-(phenylmethyl)-7H-purin-3-ium-6-amine Openeye Name: N-benzyl-N,3-bis[(3-chlorophenyl)methyl]-7H-purin-3-ium-6-amine CAS Name: N,3-bis[(3-chlorophenyl)methyl]-N-(phenylmethyl)-7H-purin-3-ium-6-amine IUPAC Name: N-benzyl-N,3-bis[(3-chlorophenyl)methyl]-7H-purin-3-ium-6-amine Traditional Name: benzyl-(3-chlorobenzyl)-[3-(3-chlorobenzyl)-7H-purin-3-ium-6-yl]amine Formula: C26H22Cl2N5+ MolecularWeight: 475.39238

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC(=CC=C2)Cl)C3=C4C(=[N+](C=N3)CC5=CC(=CC=C5)Cl)N=CN4

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC(=CC=C2)Cl)C3=C4C(=[N+](C=N3)CC5=CC(=CC=C5)Cl)N=CN4

InChI

InChI=1S/C26H21Cl2N5/c27-22-10-4-8-20(12-22)15-32(14-19-6-2-1-3-7-19)26-24-25(30-17-29-24)33(18-31-26)16-21-9-5-11-23(28)13-21/h1-13,17-18H,14-16H2/p+1