2-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]pyrimidine-4,6-diamine

Systemtic Name: 2-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]pyrimidine-4,6-diamine Openeye Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]pyrimidine-4,6-diamine CAS Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]pyrimidine-4,6-diamine IUPAC Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]pyrimidine-4,6-diamine Traditional Name: [6-amino-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]pyrimidin-4-yl]amine Formula: C13H13ClN4O2S MolecularWeight: 324.78592

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSC3=NC(=CC(=N3)N)N)Cl

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSC3=NC(=CC(=N3)N)N)Cl

InChI

InChI=1S/C13H13ClN4O2S/c14-9-1-7-4-19-6-20-12(7)8(2-9)5-21-13-17-10(15)3-11(16)18-13/h1-3H,4-6H2,(H4,15,16,17,18)