4-[6-chloranyl-2-[2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-N-propan-2-yl-piperazine-1-carboxamide

Systemtic Name: 4-[6-chloranyl-2-[2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-N-propan-2-yl-piperazine-1-carboxamide Openeye Name: 4-[2-[2-(4-acetylpiperazin-1-yl)-2-oxo-ethyl]sulfanyl-6-chloro-pyrimidin-4-yl]-N-isopropyl-2-methyl-piperazine-1-carboxamide CAS Name: 4-[2-[[2-(4-acetyl-1-piperazinyl)-2-oxoethyl]thio]-6-chloro-4-pyrimidinyl]-2-methyl-N-propan-2-yl-1-piperazinecarboxamide IUPAC Name: 4-[2-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]sulfanyl-6-chloropyrimidin-4-yl]-2-methyl-N-propan-2-ylpiperazine-1-carboxamide Traditional Name: 4-[2-[[2-(4-acetylpiperazino)-2-keto-ethyl]thio]-6-chloro-pyrimidin-4-yl]-N-isopropyl-2-methyl-piperazine-1-carboxamide Formula: C21H32ClN7O3S MolecularWeight: 498.04188

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)NC(C)C)C2=CC(=NC(=N2)SCC(=O)N3CCN(CC3)C(=O)C)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)NC(C)C)C2=CC(=NC(=N2)SCC(=O)N3CCN(CC3)C(=O)C)Cl

InChI

InChI=1S/C21H32ClN7O3S/c1-14(2)23-21(32)29-10-9-28(12-15(29)3)18-11-17(22)24-20(25-18)33-13-19(31)27-7-5-26(6-8-27)16(4)30/h11,14-15H,5-10,12-13H2,1-4H3,(H,23,32)