N6-(1,3-benzodioxol-5-yl)-N4-(3-chloranyl-4-fluoranyl-phenyl)pyrimidine-4,5,6-triamine

Systemtic Name: N6-(1,3-benzodioxol-5-yl)-N4-(3-chloranyl-4-fluoranyl-phenyl)pyrimidine-4,5,6-triamine Openeye Name: N6-(1,3-benzodioxol-5-yl)-N4-(3-chloro-4-fluoro-phenyl)pyrimidine-4,5,6-triamine CAS Name: N6-(1,3-benzodioxol-5-yl)-N4-(3-chloro-4-fluorophenyl)pyrimidine-4,5,6-triamine IUPAC Name: 6-N-(1,3-benzodioxol-5-yl)-4-N-(3-chloro-4-fluorophenyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]-(3-chloro-4-fluoro-phenyl)amine Formula: C17H13ClFN5O2 MolecularWeight: 373.768823

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC3=C(C(=NC=N3)NC4=CC(=C(C=C4)F)Cl)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC3=C(C(=NC=N3)NC4=CC(=C(C=C4)F)Cl)N

InChI

InChI=1S/C17H13ClFN5O2/c18-11-5-9(1-3-12(11)19)23-16-15(20)17(22-7-21-16)24-10-2-4-13-14(6-10)26-8-25-13/h1-7H,8,20H2,(H2,21,22,23,24)