4-[6-chloranyl-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-pyrimidin-4-yl]-N-propyl-piperazine-1-carboxamide

Systemtic Name: 4-[6-chloranyl-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-pyrimidin-4-yl]-N-propyl-piperazine-1-carboxamide Openeye Name: 4-[6-chloro-2-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-pyrimidin-4-yl]-N-propyl-piperazine-1-carboxamide CAS Name: 4-[6-chloro-2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-4-pyrimidinyl]-N-propyl-1-piperazinecarboxamide IUPAC Name: 4-[6-chloro-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidin-4-yl]-N-propylpiperazine-1-carboxamide Traditional Name: 4-[6-chloro-2-[(2-keto-2-piperidino-ethyl)thio]pyrimidin-4-yl]-N-propyl-piperazine-1-carboxamide Formula: C19H29ClN6O2S MolecularWeight: 440.99056

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)N1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)N3CCCCC3)Cl

Isomeric SMILES

CCCNC(=O)N1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)N3CCCCC3)Cl

InChI

InChI=1S/C19H29ClN6O2S/c1-2-6-21-19(28)26-11-9-24(10-12-26)16-13-15(20)22-18(23-16)29-14-17(27)25-7-4-3-5-8-25/h13H,2-12,14H2,1H3,(H,21,28)