O-[3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] N-ethylcarbamothioate

Systemtic Name: O-[3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] N-ethylcarbamothioate Openeye Name: O-[3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] N-ethylcarbamothioate CAS Name: N-ethylcarbamothioic acid O-[3-[[2-(methylthio)-6-phenyl-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: O-[3-[(2-methylsulfanyl-6-phenylpyrimidin-4-yl)amino]phenyl] N-ethylcarbamothioate Traditional Name: N-ethylthiocarbamic acid O-[3-[[2-(methylthio)-6-phenyl-pyrimidin-4-yl]amino]phenyl] ester Formula: C20H20N4OS2 MolecularWeight: 396.529

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)OC1=CC=CC(=C1)NC2=NC(=NC(=C2)C3=CC=CC=C3)SC

Isomeric SMILES

CCNC(=S)OC1=CC=CC(=C1)NC2=NC(=NC(=C2)C3=CC=CC=C3)SC

InChI

InChI=1S/C20H20N4OS2/c1-3-21-20(26)25-16-11-7-10-15(12-16)22-18-13-17(23-19(24-18)27-2)14-8-5-4-6-9-14/h4-13H,3H2,1-2H3,(H,21,26)(H,22,23,24)