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

Systemtic Name: (2S)-4-[6-chloranyl-2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-N-propyl-piperazine-1-carboxamide Openeye Name: (2S)-4-[6-chloro-2-[2-(isopropylamino)-2-oxo-ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-N-propyl-piperazine-1-carboxamide CAS Name: (2S)-4-[6-chloro-2-[[2-oxo-2-(propan-2-ylamino)ethyl]thio]-4-pyrimidinyl]-2-methyl-N-propyl-1-piperazinecarboxamide IUPAC Name: (2S)-4-[6-chloro-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylpyrimidin-4-yl]-2-methyl-N-propylpiperazine-1-carboxamide Traditional Name: (2S)-4-[6-chloro-2-[[2-(isopropylamino)-2-keto-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)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NC(C)C)Cl

Isomeric SMILES

CCCNC(=O)N1CCN(C[C@@H]1C)C2=CC(=NC(=N2)SCC(=O)NC(C)C)Cl

InChI

InChI=1S/C18H29ClN6O2S/c1-5-6-20-18(27)25-8-7-24(10-13(25)4)15-9-14(19)22-17(23-15)28-11-16(26)21-12(2)3/h9,12-13H,5-8,10-11H2,1-4H3,(H,20,27)(H,21,26)/t13-/m0/s1