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

Systemtic Name: 2-[[5-azanyl-6-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-4-yl]-(cyanomethyl)amino]ethanenitrile Openeye Name: 2-[[5-amino-6-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-4-yl]-(cyanomethyl)amino]acetonitrile CAS Name: 2-[[5-amino-6-(1,3-benzodioxol-5-ylmethylamino)-4-pyrimidinyl]-(cyanomethyl)amino]acetonitrile IUPAC Name: 2-[[5-amino-6-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-4-yl]-(cyanomethyl)amino]acetonitrile Traditional Name: 2-[[5-amino-6-(piperonylamino)pyrimidin-4-yl]-(cyanomethyl)amino]acetonitrile Formula: C16H15N7O2 MolecularWeight: 337.336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N7O2/c17-3-5-23(6-4-18)16-14(19)15(21-9-22-16)20-8-11-1-2-12-13(7-11)25-10-24-12/h1-2,7,9H,5-6,8,10,19H2,(H,20,21,22)