N4-(1,3-benzodioxol-5-yl)-N6-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine

Systemtic Name: N4-(1,3-benzodioxol-5-yl)-N6-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine Openeye Name: N4-(1,3-benzodioxol-5-yl)-N6-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine CAS Name: N4-(1,3-benzodioxol-5-yl)-N6-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine IUPAC Name: 4-N-(1,3-benzodioxol-5-yl)-6-N-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]-(4-phenoxyphenyl)amine Formula: C23H19N5O3 MolecularWeight: 413.42866

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC3=NC=NC(=C3N)NC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC3=NC=NC(=C3N)NC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C23H19N5O3/c24-21-22(27-15-6-9-18(10-7-15)31-17-4-2-1-3-5-17)25-13-26-23(21)28-16-8-11-19-20(12-16)30-14-29-19/h1-13H,14,24H2,(H2,25,26,27,28)