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

Systemtic Name: N4-(pyridin-3-ylmethyl)-N6-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine Openeye Name: N4-(3-pyridylmethyl)-N6-[2-(2-thienyl)ethyl]pyrimidine-4,5,6-triamine CAS Name: N4-(3-pyridinylmethyl)-N6-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine IUPAC Name: 4-N-(pyridin-3-ylmethyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(3-pyridylmethylamino)pyrimidin-4-yl]-[2-(2-thienyl)ethyl]amine Formula: C16H18N6S MolecularWeight: 326.41932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNC2=C(C(=NC=N2)NCCC3=CC=CS3)N

Isomeric SMILES

C1=CC(=CN=C1)CNC2=C(C(=NC=N2)NCCC3=CC=CS3)N

InChI

InChI=1S/C16H18N6S/c17-14-15(19-7-5-13-4-2-8-23-13)21-11-22-16(14)20-10-12-3-1-6-18-9-12/h1-4,6,8-9,11H,5,7,10,17H2,(H2,19,20,21,22)