N6-(2-methoxyphenyl)-9-phenethyl-N8-(4-phenoxyphenyl)purine-6,8-diamine

Systemtic Name: N6-(2-methoxyphenyl)-9-phenethyl-N8-(4-phenoxyphenyl)purine-6,8-diamine Openeye Name: N6-(2-methoxyphenyl)-9-phenethyl-N8-(4-phenoxyphenyl)purine-6,8-diamine CAS Name: N6-(2-methoxyphenyl)-9-phenethyl-N8-(4-phenoxyphenyl)purine-6,8-diamine IUPAC Name: 6-N-(2-methoxyphenyl)-9-phenethyl-8-N-(4-phenoxyphenyl)purine-6,8-diamine Traditional Name: (2-methoxyphenyl)-[9-phenethyl-8-(4-phenoxyanilino)purin-6-yl]amine Formula: C32H28N6O2 MolecularWeight: 528.60372

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC2=NC=NC3=C2N=C(N3CCC4=CC=CC=C4)NC5=CC=C(C=C5)OC6=CC=CC=C6

Isomeric SMILES

COC1=CC=CC=C1NC2=NC=NC3=C2N=C(N3CCC4=CC=CC=C4)NC5=CC=C(C=C5)OC6=CC=CC=C6

InChI

InChI=1S/C32H28N6O2/c1-39-28-15-9-8-14-27(28)36-30-29-31(34-22-33-30)38(21-20-23-10-4-2-5-11-23)32(37-29)35-24-16-18-26(19-17-24)40-25-12-6-3-7-13-25/h2-19,22H,20-21H2,1H3,(H,35,37)(H,33,34,36)