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

Systemtic Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine Openeye Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine CAS Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine IUPAC Name: 6-N-(1,3-benzodioxol-5-ylmethyl)-4-N-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(4-phenoxyanilino)pyrimidin-4-yl]-piperonyl-amine Formula: C24H21N5O3 MolecularWeight: 427.45524

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=NC=NC(=C3N)NC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=NC=NC(=C3N)NC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C24H21N5O3/c25-22-23(26-13-16-6-11-20-21(12-16)31-15-30-20)27-14-28-24(22)29-17-7-9-19(10-8-17)32-18-4-2-1-3-5-18/h1-12,14H,13,15,25H2,(H2,26,27,28,29)