4-[[4-(4-ethanoylpiperazin-1-yl)-5,6-dimethyl-pyrimidin-2-yl]sulfanylmethyl]benzoate

Systemtic Name: 4-[[4-(4-ethanoylpiperazin-1-yl)-5,6-dimethyl-pyrimidin-2-yl]sulfanylmethyl]benzoate Openeye Name: 4-[[4-(4-acetylpiperazin-1-yl)-5,6-dimethyl-pyrimidin-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[4-(4-acetyl-1-piperazinyl)-5,6-dimethyl-2-pyrimidinyl]thio]methyl]benzoate IUPAC Name: 4-[[4-(4-acetylpiperazin-1-yl)-5,6-dimethylpyrimidin-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[4-(4-acetylpiperazino)-5,6-dimethyl-pyrimidin-2-yl]thio]methyl]benzoate Formula: C20H23N4O3S- MolecularWeight: 399.48662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1N2CCN(CC2)C(=O)C)SCC3=CC=C(C=C3)C(=O)[O-])C

Isomeric SMILES

CC1=C(N=C(N=C1N2CCN(CC2)C(=O)C)SCC3=CC=C(C=C3)C(=O)[O-])C

InChI

InChI=1S/C20H24N4O3S/c1-13-14(2)21-20(28-12-16-4-6-17(7-5-16)19(26)27)22-18(13)24-10-8-23(9-11-24)15(3)25/h4-7H,8-12H2,1-3H3,(H,26,27)/p-1