3-[[4-[2-(3-azanylpropylamino)pyridin-3-yl]pyrimidin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 3-[[4-[2-(3-azanylpropylamino)pyridin-3-yl]pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 3-[[4-[2-(3-aminopropylamino)-3-pyridyl]pyrimidin-2-yl]amino]benzonitrile CAS Name: 3-[[4-[2-(3-aminopropylamino)-3-pyridinyl]-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 3-[[4-[2-(3-aminopropylamino)pyridin-3-yl]pyrimidin-2-yl]amino]benzonitrile Traditional Name: 3-[[4-[2-(3-aminopropylamino)-3-pyridyl]pyrimidin-2-yl]amino]benzonitrile Formula: C19H19N7 MolecularWeight: 345.40106

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=NC=CC(=N2)C3=C(N=CC=C3)NCCCN)C#N

Isomeric SMILES

C1=CC(=CC(=C1)NC2=NC=CC(=N2)C3=C(N=CC=C3)NCCCN)C#N

InChI

InChI=1S/C19H19N7/c20-8-3-10-23-18-16(6-2-9-22-18)17-7-11-24-19(26-17)25-15-5-1-4-14(12-15)13-21/h1-2,4-7,9,11-12H,3,8,10,20H2,(H,22,23)(H,24,25,26)