2-[4-[2-[2,4-bis(azanyl)-6-oxidanylidene-pyrimidin-5-ylidene]hydrazinyl]phenyl]ethanenitrile

Systemtic Name: 2-[4-[2-[2,4-bis(azanyl)-6-oxidanylidene-pyrimidin-5-ylidene]hydrazinyl]phenyl]ethanenitrile Openeye Name: 2-[4-[2-(2,4-diamino-6-oxo-pyrimidin-5-ylidene)hydrazino]phenyl]acetonitrile CAS Name: 2-[4-[2-(2,4-diamino-6-oxo-5-pyrimidinylidene)hydrazinyl]phenyl]acetonitrile IUPAC Name: 2-[4-[2-(2,4-diamino-6-oxopyrimidin-5-ylidene)hydrazinyl]phenyl]acetonitrile Traditional Name: 2-[4-[N'-(2,4-diamino-6-keto-pyrimidin-5-ylidene)hydrazino]phenyl]acetonitrile Formula: C12H11N7O MolecularWeight: 269.26204

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC#N)NN=C2C(=NC(=NC2=O)N)N

Isomeric SMILES

C1=CC(=CC=C1CC#N)NN=C2C(=NC(=NC2=O)N)N

InChI

InChI=1S/C12H11N7O/c13-6-5-7-1-3-8(4-2-7)18-19-9-10(14)16-12(15)17-11(9)20/h1-4,18H,5H2,(H4,14,15,16,17,20)