N4-(1,3-benzodioxol-5-ylmethyl)-N6-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine

Systemtic Name: N4-(1,3-benzodioxol-5-ylmethyl)-N6-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine Openeye Name: N4-(1,3-benzodioxol-5-ylmethyl)-N6-[2-(2-thienyl)ethyl]pyrimidine-4,5,6-triamine CAS Name: N4-(1,3-benzodioxol-5-ylmethyl)-N6-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine IUPAC Name: 4-N-(1,3-benzodioxol-5-ylmethyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(piperonylamino)pyrimidin-4-yl]-[2-(2-thienyl)ethyl]amine Formula: C18H19N5O2S MolecularWeight: 369.44076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=C(C(=NC=N3)NCCC4=CC=CS4)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=C(C(=NC=N3)NCCC4=CC=CS4)N

InChI

InChI=1S/C18H19N5O2S/c19-16-17(20-6-5-13-2-1-7-26-13)22-10-23-18(16)21-9-12-3-4-14-15(8-12)25-11-24-14/h1-4,7-8,10H,5-6,9,11,19H2,(H2,20,21,22,23)