[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] thiocyanate

Systemtic Name: [4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] thiocyanate Openeye Name: [4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] thiocyanate CAS Name: thiocyanic acid [4-[(4,6-dimethyl-2-pyrimidinyl)amino]phenyl] ester IUPAC Name: [4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] thiocyanate Traditional Name: thiocyanic acid [4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] ester Formula: C13H12N4S MolecularWeight: 256.32618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC2=CC=C(C=C2)SC#N)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC2=CC=C(C=C2)SC#N)C

InChI

InChI=1S/C13H12N4S/c1-9-7-10(2)16-13(15-9)17-11-3-5-12(6-4-11)18-8-14/h3-7H,1-2H3,(H,15,16,17)