2-(1,3-benzodioxol-5-ylmethylsulfanyl)pyrimidine-4,6-diamine

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)pyrimidine-4,6-diamine Openeye Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)pyrimidine-4,6-diamine CAS Name: 2-(1,3-benzodioxol-5-ylmethylthio)pyrimidine-4,6-diamine IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)pyrimidine-4,6-diamine Traditional Name: [6-amino-2-(piperonylthio)pyrimidin-4-yl]amine Formula: C12H12N4O2S MolecularWeight: 276.31428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N4O2S/c13-10-4-11(14)16-12(15-10)19-5-7-1-2-8-9(3-7)18-6-17-8/h1-4H,5-6H2,(H4,13,14,15,16)