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

Systemtic Name: 2-[4-chloranyl-6-[(3S)-4-cyclopropylcarbonyl-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-propyl-ethanamide Openeye Name: 2-[4-chloro-6-[(3S)-4-(cyclopropanecarbonyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-propyl-acetamide CAS Name: 2-[[4-chloro-6-[(3S)-4-[cyclopropyl(oxo)methyl]-3-methyl-1-piperazinyl]-2-pyrimidinyl]thio]-N-propylacetamide IUPAC Name: 2-[4-chloro-6-[(3S)-4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-propylacetamide Traditional Name: 2-[[4-chloro-6-[(3S)-4-(cyclopropanecarbonyl)-3-methyl-piperazino]pyrimidin-2-yl]thio]-N-propyl-acetamide Formula: C18H26ClN5O2S MolecularWeight: 411.94934

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CSC1=NC(=CC(=N1)Cl)N2CCN(C(C2)C)C(=O)C3CC3

Isomeric SMILES

CCCNC(=O)CSC1=NC(=CC(=N1)Cl)N2CCN([C@H](C2)C)C(=O)C3CC3

InChI

InChI=1S/C18H26ClN5O2S/c1-3-6-20-16(25)11-27-18-21-14(19)9-15(22-18)23-7-8-24(12(2)10-23)17(26)13-4-5-13/h9,12-13H,3-8,10-11H2,1-2H3,(H,20,25)/t12-/m0/s1