N,8,9-tris(3,4-dimethoxyphenyl)purin-6-amine

Systemtic Name: N,8,9-tris(3,4-dimethoxyphenyl)purin-6-amine Openeye Name: N,8,9-tris(3,4-dimethoxyphenyl)purin-6-amine CAS Name: N,8,9-tris(3,4-dimethoxyphenyl)-6-purinamine IUPAC Name: N,8,9-tris(3,4-dimethoxyphenyl)purin-6-amine Traditional Name: [8,9-bis(3,4-dimethoxyphenyl)purin-6-yl]-(3,4-dimethoxyphenyl)amine Formula: C29H29N5O6 MolecularWeight: 543.57046

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=C(N2C4=CC(=C(C=C4)OC)OC)N=CN=C3NC5=CC(=C(C=C5)OC)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=C(N2C4=CC(=C(C=C4)OC)OC)N=CN=C3NC5=CC(=C(C=C5)OC)OC)OC

InChI

InChI=1S/C29H29N5O6/c1-35-20-10-7-17(13-23(20)38-4)28-33-26-27(32-18-8-11-21(36-2)24(14-18)39-5)30-16-31-29(26)34(28)19-9-12-22(37-3)25(15-19)40-6/h7-16H,1-6H3,(H,30,31,32)