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

Systemtic Name: 2-[4-[(3S)-4-butanoyl-3-methyl-piperazin-1-yl]-6-chloranyl-pyrimidin-2-yl]sulfanyl-N-propyl-ethanamide Openeye Name: 2-[4-[(3S)-4-butanoyl-3-methyl-piperazin-1-yl]-6-chloro-pyrimidin-2-yl]sulfanyl-N-propyl-acetamide CAS Name: 2-[[4-chloro-6-[(3S)-3-methyl-4-(1-oxobutyl)-1-piperazinyl]-2-pyrimidinyl]thio]-N-propylacetamide IUPAC Name: 2-[4-[(3S)-4-butanoyl-3-methylpiperazin-1-yl]-6-chloropyrimidin-2-yl]sulfanyl-N-propylacetamide Traditional Name: 2-[[4-[(3S)-4-butyryl-3-methyl-piperazino]-6-chloro-pyrimidin-2-yl]thio]-N-propyl-acetamide Formula: C18H28ClN5O2S MolecularWeight: 413.96522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28ClN5O2S/c1-4-6-17(26)24-9-8-23(11-13(24)3)15-10-14(19)21-18(22-15)27-12-16(25)20-7-5-2/h10,13H,4-9,11-12H2,1-3H3,(H,20,25)/t13-/m0/s1