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

Systemtic Name: 9-(3,4-dimethoxyphenyl)-N,8-bis(4-methoxyphenyl)purin-6-amine Openeye Name: 9-(3,4-dimethoxyphenyl)-N,8-bis(4-methoxyphenyl)purin-6-amine CAS Name: 9-(3,4-dimethoxyphenyl)-N,8-bis(4-methoxyphenyl)-6-purinamine IUPAC Name: 9-(3,4-dimethoxyphenyl)-N,8-bis(4-methoxyphenyl)purin-6-amine Traditional Name: [9-(3,4-dimethoxyphenyl)-8-(4-methoxyphenyl)purin-6-yl]-(4-methoxyphenyl)amine Formula: C27H25N5O4 MolecularWeight: 483.5185

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25N5O4/c1-33-20-10-5-17(6-11-20)26-31-24-25(30-18-7-12-21(34-2)13-8-18)28-16-29-27(24)32(26)19-9-14-22(35-3)23(15-19)36-4/h5-16H,1-4H3,(H,28,29,30)