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

Systemtic Name: 4-[6-chloranyl-2-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-yl]-N-propyl-piperazine-1-carboxamide Openeye Name: 4-[6-chloro-2-[2-(2-furylmethylamino)-2-oxo-ethyl]sulfanyl-pyrimidin-4-yl]-N-propyl-piperazine-1-carboxamide CAS Name: 4-[6-chloro-2-[[2-(2-furanylmethylamino)-2-oxoethyl]thio]-4-pyrimidinyl]-N-propyl-1-piperazinecarboxamide IUPAC Name: 4-[6-chloro-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylpyrimidin-4-yl]-N-propylpiperazine-1-carboxamide Traditional Name: 4-[6-chloro-2-[[2-(2-furfurylamino)-2-keto-ethyl]thio]pyrimidin-4-yl]-N-propyl-piperazine-1-carboxamide Formula: C19H25ClN6O3S MolecularWeight: 452.9582

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)N1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)NCC3=CC=CO3)Cl

Isomeric SMILES

CCCNC(=O)N1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)NCC3=CC=CO3)Cl

InChI

InChI=1S/C19H25ClN6O3S/c1-2-5-21-19(28)26-8-6-25(7-9-26)16-11-15(20)23-18(24-16)30-13-17(27)22-12-14-4-3-10-29-14/h3-4,10-11H,2,5-9,12-13H2,1H3,(H,21,28)(H,22,27)