3-[[2,5-bis(azanyl)-6-chloranyl-pyrimidin-4-yl]amino]benzenecarbonitrile

Systemtic Name: 3-[[2,5-bis(azanyl)-6-chloranyl-pyrimidin-4-yl]amino]benzenecarbonitrile Openeye Name: 3-[(2,5-diamino-6-chloro-pyrimidin-4-yl)amino]benzonitrile CAS Name: 3-[(2,5-diamino-6-chloro-4-pyrimidinyl)amino]benzonitrile IUPAC Name: 3-[(2,5-diamino-6-chloropyrimidin-4-yl)amino]benzonitrile Traditional Name: 3-[(2,5-diamino-6-chloro-pyrimidin-4-yl)amino]benzonitrile Formula: C11H9ClN6 MolecularWeight: 260.68236

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=C(C(=NC(=N2)N)Cl)N)C#N

Isomeric SMILES

C1=CC(=CC(=C1)NC2=C(C(=NC(=N2)N)Cl)N)C#N

InChI

InChI=1S/C11H9ClN6/c12-9-8(14)10(18-11(15)17-9)16-7-3-1-2-6(4-7)5-13/h1-4H,14H2,(H3,15,16,17,18)