4-[(3-azanyl-4-azanylidene-pyrimido[5,4-d]pyrimidin-8-yl)amino]benzenecarbonitrile

Systemtic Name: 4-[(3-azanyl-4-azanylidene-pyrimido[5,4-d]pyrimidin-8-yl)amino]benzenecarbonitrile Openeye Name: 4-[(3-amino-4-imino-pyrimido[5,4-d]pyrimidin-8-yl)amino]benzonitrile CAS Name: 4-[(3-amino-4-imino-8-pyrimido[5,4-d]pyrimidinyl)amino]benzonitrile IUPAC Name: 4-[(3-amino-4-iminopyrimido[5,4-d]pyrimidin-8-yl)amino]benzonitrile Traditional Name: 4-[(3-amino-4-imino-pyrimido[5,4-d]pyrimidin-8-yl)amino]benzonitrile Formula: C13H10N8 MolecularWeight: 278.2721

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)NC2=NC=NC3=C2N=CN(C3=N)N

Isomeric SMILES

C1=CC(=CC=C1C#N)NC2=NC=NC3=C2N=CN(C3=N)N

InChI

InChI=1S/C13H10N8/c14-5-8-1-3-9(4-2-8)20-13-11-10(17-6-18-13)12(15)21(16)7-19-11/h1-4,6-7,15H,16H2,(H,17,18,20)