ethyl 4-[4-[(4,6-dimethyl-2-sulfanylidene-pyrimidin-1-yl)methyl]piperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[(4,6-dimethyl-2-sulfanylidene-pyrimidin-1-yl)methyl]piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-[(4,6-dimethyl-2-thioxo-pyrimidin-1-yl)methyl]piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[(4,6-dimethyl-2-sulfanylidene-1-pyrimidinyl)methyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[(4,6-dimethyl-2-sulfanylidenepyrimidin-1-yl)methyl]piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[(4,6-dimethyl-2-thioxo-pyrimidin-1-yl)methyl]piperazino]sulfonylbenzoic acid ethyl ester Formula: C20H26N4O4S2 MolecularWeight: 450.57484

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CN3C(=CC(=NC3=S)C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CN3C(=CC(=NC3=S)C)C

InChI

InChI=1S/C20H26N4O4S2/c1-4-28-19(25)17-5-7-18(8-6-17)30(26,27)23-11-9-22(10-12-23)14-24-16(3)13-15(2)21-20(24)29/h5-8,13H,4,9-12,14H2,1-3H3