2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]pyrimidine-4,6-diamine

Systemtic Name: 2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]pyrimidine-4,6-diamine Openeye Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]pyrimidine-4,6-diamine CAS Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]pyrimidine-4,6-diamine IUPAC Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]pyrimidine-4,6-diamine Traditional Name: [6-amino-2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]pyrimidin-4-yl]amine Formula: C13H13BrN4O2S MolecularWeight: 369.23692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)Br)CSC3=NC(=CC(=N3)N)N

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)Br)CSC3=NC(=CC(=N3)N)N

InChI

InChI=1S/C13H13BrN4O2S/c14-8-4-10-9(19-1-2-20-10)3-7(8)6-21-13-17-11(15)5-12(16)18-13/h3-5H,1-2,6H2,(H4,15,16,17,18)