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

Systemtic Name: N-butyl-4-[6-chloranyl-2-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-piperazine-1-carboxamide Openeye Name: N-butyl-4-[6-chloro-2-[2-(2-furylmethylamino)-2-oxo-ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-piperazine-1-carboxamide CAS Name: N-butyl-4-[6-chloro-2-[[2-(2-furanylmethylamino)-2-oxoethyl]thio]-4-pyrimidinyl]-2-methyl-1-piperazinecarboxamide IUPAC Name: N-butyl-4-[6-chloro-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylpyrimidin-4-yl]-2-methylpiperazine-1-carboxamide Traditional Name: N-butyl-4-[6-chloro-2-[[2-(2-furfurylamino)-2-keto-ethyl]thio]pyrimidin-4-yl]-2-methyl-piperazine-1-carboxamide Formula: C21H29ClN6O3S MolecularWeight: 481.01136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NCC3=CC=CO3)Cl

Isomeric SMILES

CCCCNC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NCC3=CC=CO3)Cl

InChI

InChI=1S/C21H29ClN6O3S/c1-3-4-7-23-21(30)28-9-8-27(13-15(28)2)18-11-17(22)25-20(26-18)32-14-19(29)24-12-16-6-5-10-31-16/h5-6,10-11,15H,3-4,7-9,12-14H2,1-2H3,(H,23,30)(H,24,29)