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

Systemtic Name: 2-[4-chloranyl-6-[(3S)-4-cyclopropylcarbonyl-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-ethoxy-ethanamide Openeye Name: 2-[4-chloro-6-[(3S)-4-(cyclopropanecarbonyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-ethoxy-acetamide CAS Name: 2-[[4-chloro-6-[(3S)-4-[cyclopropyl(oxo)methyl]-3-methyl-1-piperazinyl]-2-pyrimidinyl]thio]-N-ethoxyacetamide IUPAC Name: 2-[4-chloro-6-[(3S)-4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-ethoxyacetamide Traditional Name: 2-[[4-chloro-6-[(3S)-4-(cyclopropanecarbonyl)-3-methyl-piperazino]pyrimidin-2-yl]thio]-N-ethoxy-acetamide Formula: C17H24ClN5O3S MolecularWeight: 413.92216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24ClN5O3S/c1-3-26-21-15(24)10-27-17-19-13(18)8-14(20-17)22-6-7-23(11(2)9-22)16(25)12-4-5-12/h8,11-12H,3-7,9-10H2,1-2H3,(H,21,24)/t11-/m0/s1