ethyl 4-[4-[[4-chloranyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-[[4-chloranyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]phenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[[4-chloro-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]benzoyl]piperazine-1-carboxylate CAS Name: 4-[[4-[[[4-chloro-6-(4-ethyl-1-piperazinyl)-2-pyrimidinyl]thio]methyl]phenyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[[4-chloro-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]benzoyl]piperazine-1-carboxylate Traditional Name: 4-[4-[[[4-chloro-6-(4-ethylpiperazino)pyrimidin-2-yl]thio]methyl]benzoyl]piperazine-1-carboxylic acid ethyl ester Formula: C25H33ClN6O3S MolecularWeight: 533.08592

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC(=NC(=N2)SCC3=CC=C(C=C3)C(=O)N4CCN(CC4)C(=O)OCC)Cl

Isomeric SMILES

CCN1CCN(CC1)C2=CC(=NC(=N2)SCC3=CC=C(C=C3)C(=O)N4CCN(CC4)C(=O)OCC)Cl

InChI

InChI=1S/C25H33ClN6O3S/c1-3-29-9-11-30(12-10-29)22-17-21(26)27-24(28-22)36-18-19-5-7-20(8-6-19)23(33)31-13-15-32(16-14-31)25(34)35-4-2/h5-8,17H,3-4,9-16,18H2,1-2H3