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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=NC=NC(=C2N)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCC1=CC=CC=C1NC2=NC=NC(=C2N)NC3=CC4=C(C=C3)OCCO4

InChI

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