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

Systemtic Name: (2S)-4-[6-chloranyl-2-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-N-propan-2-yl-piperazine-1-carboxamide Openeye Name: (2S)-4-[6-chloro-2-[2-(cyclopropylamino)-2-oxo-ethyl]sulfanyl-pyrimidin-4-yl]-N-isopropyl-2-methyl-piperazine-1-carboxamide CAS Name: (2S)-4-[6-chloro-2-[[2-(cyclopropylamino)-2-oxoethyl]thio]-4-pyrimidinyl]-2-methyl-N-propan-2-yl-1-piperazinecarboxamide IUPAC Name: (2S)-4-[6-chloro-2-[2-(cyclopropylamino)-2-oxoethyl]sulfanylpyrimidin-4-yl]-2-methyl-N-propan-2-ylpiperazine-1-carboxamide Traditional Name: (2S)-4-[6-chloro-2-[[2-(cyclopropylamino)-2-keto-ethyl]thio]pyrimidin-4-yl]-N-isopropyl-2-methyl-piperazine-1-carboxamide Formula: C18H27ClN6O2S MolecularWeight: 426.96398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)NC(C)C)C2=CC(=NC(=N2)SCC(=O)NC3CC3)Cl

Isomeric SMILES

C[C@H]1CN(CCN1C(=O)NC(C)C)C2=CC(=NC(=N2)SCC(=O)NC3CC3)Cl

InChI

InChI=1S/C18H27ClN6O2S/c1-11(2)20-18(27)25-7-6-24(9-12(25)3)15-8-14(19)22-17(23-15)28-10-16(26)21-13-4-5-13/h8,11-13H,4-7,9-10H2,1-3H3,(H,20,27)(H,21,26)/t12-/m0/s1