ethyl 1-[2-[4-chloranyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylethanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-[4-chloranyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylethanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-[4-chloro-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylacetyl]piperidine-3-carboxylate CAS Name: 1-[2-[[4-chloro-6-(4-ethyl-1-piperazinyl)-2-pyrimidinyl]thio]-1-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[4-chloro-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylacetyl]piperidine-3-carboxylate Traditional Name: 1-[2-[[4-chloro-6-(4-ethylpiperazino)pyrimidin-2-yl]thio]acetyl]nipecotic acid ethyl ester Formula: C20H30ClN5O3S MolecularWeight: 456.0019

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)N3CCCC(C3)C(=O)OCC)Cl

Isomeric SMILES

CCN1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)N3CCCC(C3)C(=O)OCC)Cl

InChI

InChI=1S/C20H30ClN5O3S/c1-3-24-8-10-25(11-9-24)17-12-16(21)22-20(23-17)30-14-18(27)26-7-5-6-15(13-26)19(28)29-4-2/h12,15H,3-11,13-14H2,1-2H3