4-[[5-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[5-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[5-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[5-(1,3-benzodioxol-5-ylmethylamino)-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[5-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[[5-(piperonylamino)pyrimidin-2-yl]amino]benzonitrile Formula: C19H15N5O2 MolecularWeight: 345.3547

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=CN=C(N=C3)NC4=CC=C(C=C4)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=CN=C(N=C3)NC4=CC=C(C=C4)C#N

InChI

InChI=1S/C19H15N5O2/c20-8-13-1-4-15(5-2-13)24-19-22-10-16(11-23-19)21-9-14-3-6-17-18(7-14)26-12-25-17/h1-7,10-11,21H,9,12H2,(H,22,23,24)