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

Systemtic Name: 4-[(4-azanylidene-3-oxidanyl-pyrimido[5,4-d]pyrimidin-8-yl)amino]benzenecarbonitrile Openeye Name: 4-[(3-hydroxy-4-imino-pyrimido[5,4-d]pyrimidin-8-yl)amino]benzonitrile CAS Name: 4-[(3-hydroxy-4-imino-8-pyrimido[5,4-d]pyrimidinyl)amino]benzonitrile IUPAC Name: 4-[(3-hydroxy-4-iminopyrimido[5,4-d]pyrimidin-8-yl)amino]benzonitrile Traditional Name: 4-[(3-hydroxy-4-imino-pyrimido[5,4-d]pyrimidin-8-yl)amino]benzonitrile Formula: C13H9N7O MolecularWeight: 279.25686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9N7O/c14-5-8-1-3-9(4-2-8)19-13-11-10(16-6-17-13)12(15)20(21)7-18-11/h1-4,6-7,15,21H,(H,16,17,19)