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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC2=NC=NC(=C2N)NC3=CC4=C(C=C3)OCCO4)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC2=NC=NC(=C2N)NC3=CC4=C(C=C3)OCCO4)C

InChI

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