9-(2,4-dimethylphenyl)-N-(4-phenylmethoxyphenyl)purin-6-amine

Systemtic Name: 9-(2,4-dimethylphenyl)-N-(4-phenylmethoxyphenyl)purin-6-amine Openeye Name: N-(4-benzyloxyphenyl)-9-(2,4-dimethylphenyl)purin-6-amine CAS Name: 9-(2,4-dimethylphenyl)-N-(4-phenylmethoxyphenyl)-6-purinamine IUPAC Name: 9-(2,4-dimethylphenyl)-N-(4-phenylmethoxyphenyl)purin-6-amine Traditional Name: (4-benzoxyphenyl)-[9-(2,4-dimethylphenyl)purin-6-yl]amine Formula: C26H23N5O MolecularWeight: 421.49372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C=NC3=C2N=CN=C3NC4=CC=C(C=C4)OCC5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C=NC3=C2N=CN=C3NC4=CC=C(C=C4)OCC5=CC=CC=C5)C

InChI

InChI=1S/C26H23N5O/c1-18-8-13-23(19(2)14-18)31-17-29-24-25(27-16-28-26(24)31)30-21-9-11-22(12-10-21)32-15-20-6-4-3-5-7-20/h3-14,16-17H,15H2,1-2H3,(H,27,28,30)