N-[bis(4-methoxyphenyl)-phenyl-methyl]-9-(2-chloroethyl)purin-6-amine

Systemtic Name: N-[bis(4-methoxyphenyl)-phenyl-methyl]-9-(2-chloroethyl)purin-6-amine Openeye Name: N-[bis(4-methoxyphenyl)-phenyl-methyl]-9-(2-chloroethyl)purin-6-amine CAS Name: N-[bis(4-methoxyphenyl)-phenylmethyl]-9-(2-chloroethyl)-6-purinamine IUPAC Name: N-[bis(4-methoxyphenyl)-phenylmethyl]-9-(2-chloroethyl)purin-6-amine Traditional Name: [bis(4-methoxyphenyl)-phenyl-methyl]-[9-(2-chloroethyl)purin-6-yl]amine Formula: C28H26ClN5O2 MolecularWeight: 499.99134

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)NC4=NC=NC5=C4N=CN5CCCl

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)NC4=NC=NC5=C4N=CN5CCCl

InChI

InChI=1S/C28H26ClN5O2/c1-35-23-12-8-21(9-13-23)28(20-6-4-3-5-7-20,22-10-14-24(36-2)15-11-22)33-26-25-27(31-18-30-26)34(17-16-29)19-32-25/h3-15,18-19H,16-17H2,1-2H3,(H,30,31,33)