N,N,9-tris[(2-chlorophenyl)methyl]-8-pyrazol-1-yl-purin-6-amine

Systemtic Name: N,N,9-tris[(2-chlorophenyl)methyl]-8-pyrazol-1-yl-purin-6-amine Openeye Name: N,N,9-tris[(2-chlorophenyl)methyl]-8-pyrazol-1-yl-purin-6-amine CAS Name: N,N,9-tris[(2-chlorophenyl)methyl]-8-(1-pyrazolyl)-6-purinamine IUPAC Name: N,N,9-tris[(2-chlorophenyl)methyl]-8-pyrazol-1-ylpurin-6-amine Traditional Name: bis(2-chlorobenzyl)-[9-(2-chlorobenzyl)-8-pyrazol-1-yl-purin-6-yl]amine Formula: C29H22Cl3N7 MolecularWeight: 574.89088

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN2C3=C(C(=NC=N3)N(CC4=CC=CC=C4Cl)CC5=CC=CC=C5Cl)N=C2N6C=CC=N6)Cl

Isomeric SMILES

C1=CC=C(C(=C1)CN2C3=C(C(=NC=N3)N(CC4=CC=CC=C4Cl)CC5=CC=CC=C5Cl)N=C2N6C=CC=N6)Cl

InChI

InChI=1S/C29H22Cl3N7/c30-23-11-4-1-8-20(23)16-37(17-21-9-2-5-12-24(21)31)27-26-28(34-19-33-27)38(18-22-10-3-6-13-25(22)32)29(36-26)39-15-7-14-35-39/h1-15,19H,16-18H2