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

Systemtic Name: O-[4-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] N-ethylcarbamothioate Openeye Name: O-[4-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] N-ethylcarbamothioate CAS Name: N-ethylcarbamothioic acid O-[4-[(2-methyl-6-phenyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: O-[4-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl] N-ethylcarbamothioate Traditional Name: N-ethylthiocarbamic acid O-[4-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] ester Formula: C20H20N4OS MolecularWeight: 364.464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4OS/c1-3-21-20(26)25-17-11-9-16(10-12-17)24-19-13-18(22-14(2)23-19)15-7-5-4-6-8-15/h4-13H,3H2,1-2H3,(H,21,26)(H,22,23,24)