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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC4=C(C=C3)OCCO4)N

Isomeric SMILES

CCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC4=C(C=C3)OCCO4)N

InChI

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