4-[(8-azanylpyrimido[5,4-d]pyrimidin-4-yl)amino]benzenecarbonitrile

Systemtic Name: 4-[(8-azanylpyrimido[5,4-d]pyrimidin-4-yl)amino]benzenecarbonitrile Openeye Name: 4-[(8-aminopyrimido[5,4-d]pyrimidin-4-yl)amino]benzonitrile CAS Name: 4-[(8-amino-4-pyrimido[5,4-d]pyrimidinyl)amino]benzonitrile IUPAC Name: 4-[(8-aminopyrimido[5,4-d]pyrimidin-4-yl)amino]benzonitrile Traditional Name: 4-[(8-aminopyrimido[5,4-d]pyrimidin-4-yl)amino]benzonitrile Formula: C13H9N7 MolecularWeight: 263.25746

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)NC2=NC=NC3=C2N=CN=C3N

Isomeric SMILES

C1=CC(=CC=C1C#N)NC2=NC=NC3=C2N=CN=C3N

InChI

InChI=1S/C13H9N7/c14-5-8-1-3-9(4-2-8)20-13-11-10(16-7-19-13)12(15)18-6-17-11/h1-4,6-7H,(H2,15,17,18)(H,16,19,20)