N6-(4-butoxyphenyl)-N4-(2-ethylphenyl)pyrimidine-4,5,6-triamine

Systemtic Name: N6-(4-butoxyphenyl)-N4-(2-ethylphenyl)pyrimidine-4,5,6-triamine Openeye Name: N6-(4-butoxyphenyl)-N4-(2-ethylphenyl)pyrimidine-4,5,6-triamine CAS Name: N6-(4-butoxyphenyl)-N4-(2-ethylphenyl)pyrimidine-4,5,6-triamine IUPAC Name: 6-N-(4-butoxyphenyl)-4-N-(2-ethylphenyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(4-butoxyanilino)pyrimidin-4-yl]-(2-ethylphenyl)amine Formula: C22H27N5O MolecularWeight: 377.48268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=CC=C3CC)N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=CC=C3CC)N

InChI

InChI=1S/C22H27N5O/c1-3-5-14-28-18-12-10-17(11-13-18)26-21-20(23)22(25-15-24-21)27-19-9-7-6-8-16(19)4-2/h6-13,15H,3-5,14,23H2,1-2H3,(H2,24,25,26,27)