N4-tert-butyl-N6-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine

Systemtic Name: N4-tert-butyl-N6-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine Openeye Name: N4-tert-butyl-N6-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine CAS Name: N4-tert-butyl-N6-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine IUPAC Name: 4-N-tert-butyl-6-N-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(tert-butylamino)pyrimidin-4-yl]-(4-phenoxyphenyl)amine Formula: C20H23N5O MolecularWeight: 349.42952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=NC=NC(=C1N)NC2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)NC1=NC=NC(=C1N)NC2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C20H23N5O/c1-20(2,3)25-19-17(21)18(22-13-23-19)24-14-9-11-16(12-10-14)26-15-7-5-4-6-8-15/h4-13H,21H2,1-3H3,(H2,22,23,24,25)