N8-[(4-methoxyphenyl)methyl]-9-[(4-methylphenyl)methyl]-N6-(phenylmethyl)purine-6,8-diamine

Systemtic Name: N8-[(4-methoxyphenyl)methyl]-9-[(4-methylphenyl)methyl]-N6-(phenylmethyl)purine-6,8-diamine Openeye Name: N6-benzyl-N8-[(4-methoxyphenyl)methyl]-9-(p-tolylmethyl)purine-6,8-diamine CAS Name: N8-[(4-methoxyphenyl)methyl]-9-[(4-methylphenyl)methyl]-N6-(phenylmethyl)purine-6,8-diamine IUPAC Name: 6-N-benzyl-8-N-[(4-methoxyphenyl)methyl]-9-[(4-methylphenyl)methyl]purine-6,8-diamine Traditional Name: benzyl-[9-(4-methylbenzyl)-8-(p-anisylamino)purin-6-yl]amine Formula: C28H28N6O MolecularWeight: 464.56152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(C(=NC=N3)NCC4=CC=CC=C4)N=C2NCC5=CC=C(C=C5)OC

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(C(=NC=N3)NCC4=CC=CC=C4)N=C2NCC5=CC=C(C=C5)OC

InChI

InChI=1S/C28H28N6O/c1-20-8-10-23(11-9-20)18-34-27-25(26(31-19-32-27)29-16-21-6-4-3-5-7-21)33-28(34)30-17-22-12-14-24(35-2)15-13-22/h3-15,19H,16-18H2,1-2H3,(H,30,33)(H,29,31,32)