(2-azanyl-4-oxidanylidene-6-phenyl-1H-pyrimidin-5-yl) thiocyanate

Systemtic Name: (2-azanyl-4-oxidanylidene-6-phenyl-1H-pyrimidin-5-yl) thiocyanate Openeye Name: (2-amino-4-oxo-6-phenyl-1H-pyrimidin-5-yl) thiocyanate CAS Name: thiocyanic acid (2-amino-4-oxo-6-phenyl-1H-pyrimidin-5-yl) ester IUPAC Name: (2-amino-4-oxo-6-phenyl-1H-pyrimidin-5-yl) thiocyanate Traditional Name: thiocyanic acid (2-amino-4-keto-6-phenyl-1H-pyrimidin-5-yl) ester Formula: C11H8N4OS MolecularWeight: 244.27242

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)N)SC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)N)SC#N

InChI

InChI=1S/C11H8N4OS/c12-6-17-9-8(7-4-2-1-3-5-7)14-11(13)15-10(9)16/h1-5H,(H3,13,14,15,16)