4-[[6-[(2,4,6-trimethoxyphenyl)amino]-7H-purin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[6-[(2,4,6-trimethoxyphenyl)amino]-7H-purin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[6-(2,4,6-trimethoxyanilino)-7H-purin-2-yl]amino]benzonitrile CAS Name: 4-[[6-(2,4,6-trimethoxyanilino)-7H-purin-2-yl]amino]benzonitrile IUPAC Name: 4-[[6-(2,4,6-trimethoxyanilino)-7H-purin-2-yl]amino]benzonitrile Traditional Name: 4-[[6-(2,4,6-trimethoxyanilino)-7H-purin-2-yl]amino]benzonitrile Formula: C21H19N7O3 MolecularWeight: 417.42066

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1)OC)NC2=NC(=NC3=C2NC=N3)NC4=CC=C(C=C4)C#N)OC

Isomeric SMILES

COC1=CC(=C(C(=C1)OC)NC2=NC(=NC3=C2NC=N3)NC4=CC=C(C=C4)C#N)OC

InChI

InChI=1S/C21H19N7O3/c1-29-14-8-15(30-2)17(16(9-14)31-3)26-20-18-19(24-11-23-18)27-21(28-20)25-13-6-4-12(10-22)5-7-13/h4-9,11H,1-3H3,(H3,23,24,25,26,27,28)