9-(4-chlorophenyl)-N-(3,4,5-trimethoxyphenyl)purin-6-amine

Systemtic Name: 9-(4-chlorophenyl)-N-(3,4,5-trimethoxyphenyl)purin-6-amine Openeye Name: 9-(4-chlorophenyl)-N-(3,4,5-trimethoxyphenyl)purin-6-amine CAS Name: 9-(4-chlorophenyl)-N-(3,4,5-trimethoxyphenyl)-6-purinamine IUPAC Name: 9-(4-chlorophenyl)-N-(3,4,5-trimethoxyphenyl)purin-6-amine Traditional Name: [9-(4-chlorophenyl)purin-6-yl]-(3,4,5-trimethoxyphenyl)amine Formula: C20H18ClN5O3 MolecularWeight: 411.84162

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC2=NC=NC3=C2N=CN3C4=CC=C(C=C4)Cl

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC2=NC=NC3=C2N=CN3C4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H18ClN5O3/c1-27-15-8-13(9-16(28-2)18(15)29-3)25-19-17-20(23-10-22-19)26(11-24-17)14-6-4-12(21)5-7-14/h4-11H,1-3H3,(H,22,23,25)