phenyl N-cyano-N'-pyrimidin-5-yl-carbamimidate

Systemtic Name: phenyl N-cyano-N'-pyrimidin-5-yl-carbamimidate Openeye Name: 1-cyano-2-phenyl-3-pyrimidin-5-yl-isourea CAS Name: N-cyano-N'-(5-pyrimidinyl)carbamimidic acid phenyl ester IUPAC Name: phenyl N-cyano-N'-pyrimidin-5-ylcarbamimidate Traditional Name: 1-cyano-2-phenyl-3-(5-pyrimidyl)isourea Formula: C12H9N5O MolecularWeight: 239.23276

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(=NC2=CN=CN=C2)NC#N

Isomeric SMILES

C1=CC=C(C=C1)OC(=NC2=CN=CN=C2)NC#N

InChI

InChI=1S/C12H9N5O/c13-8-16-12(17-10-6-14-9-15-7-10)18-11-4-2-1-3-5-11/h1-7,9H,(H,16,17)