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

Systemtic Name: (2S)-4-[2-[2-(butylamino)-2-oxidanylidene-ethyl]sulfanyl-6-chloranyl-pyrimidin-4-yl]-N-ethyl-2-methyl-piperazine-1-carboxamide Openeye Name: (2S)-4-[2-[2-(butylamino)-2-oxo-ethyl]sulfanyl-6-chloro-pyrimidin-4-yl]-N-ethyl-2-methyl-piperazine-1-carboxamide CAS Name: (2S)-4-[2-[[2-(butylamino)-2-oxoethyl]thio]-6-chloro-4-pyrimidinyl]-N-ethyl-2-methyl-1-piperazinecarboxamide IUPAC Name: (2S)-4-[2-[2-(butylamino)-2-oxoethyl]sulfanyl-6-chloropyrimidin-4-yl]-N-ethyl-2-methylpiperazine-1-carboxamide Traditional Name: (2S)-4-[2-[[2-(butylamino)-2-keto-ethyl]thio]-6-chloro-pyrimidin-4-yl]-N-ethyl-2-methyl-piperazine-1-carboxamide Formula: C18H29ClN6O2S MolecularWeight: 428.97986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCNC(=O)CSC1=NC(=CC(=N1)Cl)N2CCN([C@H](C2)C)C(=O)NCC

InChI

InChI=1S/C18H29ClN6O2S/c1-4-6-7-21-16(26)12-28-17-22-14(19)10-15(23-17)24-8-9-25(13(3)11-24)18(27)20-5-2/h10,13H,4-9,11-12H2,1-3H3,(H,20,27)(H,21,26)/t13-/m0/s1