O-(6-methyl-5-prop-2-enyl-2-pyridin-4-yl-pyrimidin-4-yl) N,N-diethylcarbamothioate

Systemtic Name: O-(6-methyl-5-prop-2-enyl-2-pyridin-4-yl-pyrimidin-4-yl) N,N-diethylcarbamothioate Openeye Name: O-[5-allyl-6-methyl-2-(4-pyridyl)pyrimidin-4-yl] N,N-diethylcarbamothioate CAS Name: N,N-diethylcarbamothioic acid O-[(6-methyl-5-prop-2-enyl-2-pyridin-4-yl-4-pyrimidinyl)] ester IUPAC Name: O-(6-methyl-5-prop-2-enyl-2-pyridin-4-ylpyrimidin-4-yl) N,N-diethylcarbamothioate Traditional Name: N,N-diethylthiocarbamic acid O-[5-allyl-6-methyl-2-(4-pyridyl)pyrimidin-4-yl] ester Formula: C18H22N4OS MolecularWeight: 342.45848

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)OC1=NC(=NC(=C1CC=C)C)C2=CC=NC=C2

Isomeric SMILES

CCN(CC)C(=S)OC1=NC(=NC(=C1CC=C)C)C2=CC=NC=C2

InChI

InChI=1S/C18H22N4OS/c1-5-8-15-13(4)20-16(14-9-11-19-12-10-14)21-17(15)23-18(24)22(6-2)7-3/h5,9-12H,1,6-8H2,2-4H3