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

Systemtic Name: 4-[6-chloranyl-2-[2-(2-methoxyethylamino)-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-yl]-N-propyl-piperazine-1-carboxamide Openeye Name: 4-[6-chloro-2-[2-(2-methoxyethylamino)-2-oxo-ethyl]sulfanyl-pyrimidin-4-yl]-N-propyl-piperazine-1-carboxamide CAS Name: 4-[6-chloro-2-[[2-(2-methoxyethylamino)-2-oxoethyl]thio]-4-pyrimidinyl]-N-propyl-1-piperazinecarboxamide IUPAC Name: 4-[6-chloro-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylpyrimidin-4-yl]-N-propylpiperazine-1-carboxamide Traditional Name: 4-[6-chloro-2-[[2-keto-2-(2-methoxyethylamino)ethyl]thio]pyrimidin-4-yl]-N-propyl-piperazine-1-carboxamide Formula: C17H27ClN6O3S MolecularWeight: 430.95268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27ClN6O3S/c1-3-4-20-17(26)24-8-6-23(7-9-24)14-11-13(18)21-16(22-14)28-12-15(25)19-5-10-27-2/h11H,3-10,12H2,1-2H3,(H,19,25)(H,20,26)