2-[4-chloranyl-6-[(3S)-3-methyl-4-pentanoyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-propyl-ethanamide

Systemtic Name: 2-[4-chloranyl-6-[(3S)-3-methyl-4-pentanoyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-propyl-ethanamide Openeye Name: 2-[4-chloro-6-[(3S)-3-methyl-4-pentanoyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-propyl-acetamide CAS Name: 2-[[4-chloro-6-[(3S)-3-methyl-4-(1-oxopentyl)-1-piperazinyl]-2-pyrimidinyl]thio]-N-propylacetamide IUPAC Name: 2-[4-chloro-6-[(3S)-3-methyl-4-pentanoylpiperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-propylacetamide Traditional Name: 2-[[4-chloro-6-[(3S)-3-methyl-4-valeryl-piperazino]pyrimidin-2-yl]thio]-N-propyl-acetamide Formula: C19H30ClN5O2S MolecularWeight: 427.9918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NCCC)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H30ClN5O2S/c1-4-6-7-18(27)25-10-9-24(12-14(25)3)16-11-15(20)22-19(23-16)28-13-17(26)21-8-5-2/h11,14H,4-10,12-13H2,1-3H3,(H,21,26)/t14-/m0/s1