3-[[5-azanyl-6-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile

Systemtic Name: 3-[[5-azanyl-6-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile Openeye Name: 3-[[5-amino-6-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile CAS Name: 3-[[5-amino-6-(1,3-benzodioxol-5-ylmethylamino)-4-pyrimidinyl]-(2-cyanoethyl)amino]propanenitrile IUPAC Name: 3-[[5-amino-6-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile Traditional Name: 3-[[5-amino-6-(piperonylamino)pyrimidin-4-yl]-(2-cyanoethyl)amino]propionitrile Formula: C18H19N7O2 MolecularWeight: 365.38916

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=C(C(=NC=N3)N(CCC#N)CCC#N)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=C(C(=NC=N3)N(CCC#N)CCC#N)N

InChI

InChI=1S/C18H19N7O2/c19-5-1-7-25(8-2-6-20)18-16(21)17(23-11-24-18)22-10-13-3-4-14-15(9-13)27-12-26-14/h3-4,9,11H,1-2,7-8,10,12,21H2,(H,22,23,24)