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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CSC1=NC(=CC(=N1)Cl)N2CCN(C(C2)C)C(=O)NCCC

Isomeric SMILES

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

InChI

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