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

Systemtic Name: 4-[2-[2-(4-aminocarbonylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-chloranyl-pyrimidin-4-yl]-2-methyl-N-propan-2-yl-piperazine-1-carboxamide Openeye Name: 4-[2-[2-(4-carbamoyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-6-chloro-pyrimidin-4-yl]-N-isopropyl-2-methyl-piperazine-1-carboxamide CAS Name: 4-[2-[[2-(4-carbamoyl-1-piperidinyl)-2-oxoethyl]thio]-6-chloro-4-pyrimidinyl]-2-methyl-N-propan-2-yl-1-piperazinecarboxamide IUPAC Name: 4-[2-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]sulfanyl-6-chloropyrimidin-4-yl]-2-methyl-N-propan-2-ylpiperazine-1-carboxamide Traditional Name: 4-[2-[[2-(4-carbamoylpiperidino)-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)N3CCC(CC3)C(=O)N)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)NC(C)C)C2=CC(=NC(=N2)SCC(=O)N3CCC(CC3)C(=O)N)Cl

InChI

InChI=1S/C21H32ClN7O3S/c1-13(2)24-21(32)29-9-8-28(11-14(29)3)17-10-16(22)25-20(26-17)33-12-18(30)27-6-4-15(5-7-27)19(23)31/h10,13-15H,4-9,11-12H2,1-3H3,(H2,23,31)(H,24,32)