N4-(5-chloranyl-1,3-benzodioxol-4-yl)-N2-[4-(pyridin-2-ylmethoxy)phenyl]pyrimidine-2,4-diamine

Systemtic Name: N4-(5-chloranyl-1,3-benzodioxol-4-yl)-N2-[4-(pyridin-2-ylmethoxy)phenyl]pyrimidine-2,4-diamine Openeye Name: N4-(5-chloro-1,3-benzodioxol-4-yl)-N2-[4-(2-pyridylmethoxy)phenyl]pyrimidine-2,4-diamine CAS Name: N4-(5-chloro-1,3-benzodioxol-4-yl)-N2-[4-(2-pyridinylmethoxy)phenyl]pyrimidine-2,4-diamine IUPAC Name: 4-N-(5-chloro-1,3-benzodioxol-4-yl)-2-N-[4-(pyridin-2-ylmethoxy)phenyl]pyrimidine-2,4-diamine Traditional Name: (5-chloro-1,3-benzodioxol-4-yl)-[2-[4-(2-pyridylmethoxy)anilino]pyrimidin-4-yl]amine Formula: C23H18ClN5O3 MolecularWeight: 447.87372

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=C(C=C2)Cl)NC3=NC(=NC=C3)NC4=CC=C(C=C4)OCC5=CC=CC=N5

Isomeric SMILES

C1OC2=C(O1)C(=C(C=C2)Cl)NC3=NC(=NC=C3)NC4=CC=C(C=C4)OCC5=CC=CC=N5

InChI

InChI=1S/C23H18ClN5O3/c24-18-8-9-19-22(32-14-31-19)21(18)28-20-10-12-26-23(29-20)27-15-4-6-17(7-5-15)30-13-16-3-1-2-11-25-16/h1-12H,13-14H2,(H2,26,27,28,29)