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

Systemtic Name: 4-[6-chloranyl-2-[2-oxidanylidene-2-(pentylamino)ethyl]sulfanyl-pyrimidin-4-yl]-N-ethyl-2-methyl-piperazine-1-carboxamide Openeye Name: 4-[6-chloro-2-[2-oxo-2-(pentylamino)ethyl]sulfanyl-pyrimidin-4-yl]-N-ethyl-2-methyl-piperazine-1-carboxamide CAS Name: 4-[6-chloro-2-[[2-oxo-2-(pentylamino)ethyl]thio]-4-pyrimidinyl]-N-ethyl-2-methyl-1-piperazinecarboxamide IUPAC Name: 4-[6-chloro-2-[2-oxo-2-(pentylamino)ethyl]sulfanylpyrimidin-4-yl]-N-ethyl-2-methylpiperazine-1-carboxamide Traditional Name: 4-[2-[[2-(amylamino)-2-keto-ethyl]thio]-6-chloro-pyrimidin-4-yl]-N-ethyl-2-methyl-piperazine-1-carboxamide Formula: C19H31ClN6O2S MolecularWeight: 443.00644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)CSC1=NC(=CC(=N1)Cl)N2CCN(C(C2)C)C(=O)NCC

Isomeric SMILES

CCCCCNC(=O)CSC1=NC(=CC(=N1)Cl)N2CCN(C(C2)C)C(=O)NCC

InChI

InChI=1S/C19H31ClN6O2S/c1-4-6-7-8-22-17(27)13-29-18-23-15(20)11-16(24-18)25-9-10-26(14(3)12-25)19(28)21-5-2/h11,14H,4-10,12-13H2,1-3H3,(H,21,28)(H,22,27)