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

Systemtic Name: N6-(4-butylphenyl)-N4-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine Openeye Name: N6-(4-butylphenyl)-N4-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine CAS Name: N6-(4-butylphenyl)-N4-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine IUPAC Name: 6-N-(4-butylphenyl)-4-N-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(4-butylanilino)pyrimidin-4-yl]-(4-phenoxyphenyl)amine Formula: C26H27N5O MolecularWeight: 425.52548

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=C(C=C3)OC4=CC=CC=C4)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=C(C=C3)OC4=CC=CC=C4)N

InChI

InChI=1S/C26H27N5O/c1-2-3-7-19-10-12-20(13-11-19)30-25-24(27)26(29-18-28-25)31-21-14-16-23(17-15-21)32-22-8-5-4-6-9-22/h4-6,8-18H,2-3,7,27H2,1H3,(H2,28,29,30,31)