5-bromanyl-N2,N4-bis(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-2,4-diamine

Systemtic Name: 5-bromanyl-N2,N4-bis(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-2,4-diamine Openeye Name: 5-bromo-N2,N4-bis(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-2,4-diamine CAS Name: 5-bromo-N2,N4-bis(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-2,4-diamine IUPAC Name: 5-bromo-2-N,4-N-bis(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-2,4-diamine Traditional Name: [5-bromo-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidin-4-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)amine Formula: C20H17BrN4O4 MolecularWeight: 457.27738

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC3=NC(=NC=C3Br)NC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC3=NC(=NC=C3Br)NC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C20H17BrN4O4/c21-14-11-22-20(24-13-2-4-16-18(10-13)29-8-6-27-16)25-19(14)23-12-1-3-15-17(9-12)28-7-5-26-15/h1-4,9-11H,5-8H2,(H2,22,23,24,25)