2-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]pyrimidine-4,6-diamine

Systemtic Name: 2-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]pyrimidine-4,6-diamine Openeye Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]pyrimidine-4,6-diamine CAS Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]pyrimidine-4,6-diamine IUPAC Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]pyrimidine-4,6-diamine Traditional Name: [6-amino-2-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]pyrimidin-4-yl]amine Formula: C12H11BrN4O2S MolecularWeight: 355.21034

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CSC3=NC(=CC(=N3)N)N)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CSC3=NC(=CC(=N3)N)N)Br

InChI

InChI=1S/C12H11BrN4O2S/c13-7-2-9-8(18-5-19-9)1-6(7)4-20-12-16-10(14)3-11(15)17-12/h1-3H,4-5H2,(H4,14,15,16,17)