ethyl 4-[2-[4-chloranyl-6-(4-ethanoyl-3-methyl-piperazin-1-yl)pyrimidin-2-yl]sulfanylethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[4-chloranyl-6-(4-ethanoyl-3-methyl-piperazin-1-yl)pyrimidin-2-yl]sulfanylethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[4-(4-acetyl-3-methyl-piperazin-1-yl)-6-chloro-pyrimidin-2-yl]sulfanylacetyl]piperazine-1-carboxylate CAS Name: 4-[2-[[4-(4-acetyl-3-methyl-1-piperazinyl)-6-chloro-2-pyrimidinyl]thio]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[4-(4-acetyl-3-methylpiperazin-1-yl)-6-chloropyrimidin-2-yl]sulfanylacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[[4-(4-acetyl-3-methyl-piperazino)-6-chloro-pyrimidin-2-yl]thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C20H29ClN6O4S MolecularWeight: 485.00006

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC(=CC(=N2)Cl)N3CCN(C(C3)C)C(=O)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC(=CC(=N2)Cl)N3CCN(C(C3)C)C(=O)C

InChI

InChI=1S/C20H29ClN6O4S/c1-4-31-20(30)25-7-5-24(6-8-25)18(29)13-32-19-22-16(21)11-17(23-19)26-9-10-27(15(3)28)14(2)12-26/h11,14H,4-10,12-13H2,1-3H3