N6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N4-ethyl-N4-phenyl-pyrimidine-4,5,6-triamine

Systemtic Name: N6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N4-ethyl-N4-phenyl-pyrimidine-4,5,6-triamine Openeye Name: N6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N4-ethyl-N4-phenyl-pyrimidine-4,5,6-triamine CAS Name: N6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N4-ethyl-N4-phenylpyrimidine-4,5,6-triamine IUPAC Name: 6-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-N-ethyl-4-N-phenylpyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidin-4-yl]-ethyl-phenyl-amine Formula: C20H21N5O2 MolecularWeight: 363.41304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C2=NC=NC(=C2N)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCN(C1=CC=CC=C1)C2=NC=NC(=C2N)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H21N5O2/c1-2-25(15-6-4-3-5-7-15)20-18(21)19(22-13-23-20)24-14-8-9-16-17(12-14)27-11-10-26-16/h3-9,12-13H,2,10-11,21H2,1H3,(H,22,23,24)