2-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-N-[(2S)-butan-2-yl]ethanamide

Systemtic Name: 2-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-N-[(2S)-butan-2-yl]ethanamide Openeye Name: 2-[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-N-[(1S)-1-methylpropyl]acetamide CAS Name: 2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-2-pyrimidinyl]thio]-N-[(2S)-butan-2-yl]acetamide IUPAC Name: 2-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanyl-N-[(2S)-butan-2-yl]acetamide Traditional Name: 2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]thio]-N-[(1S)-1-methylpropyl]acetamide Formula: C18H23ClN4OS MolecularWeight: 378.91942

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)SCC(=O)NC(C)CC)N)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCC1=C(C(=NC(=N1)SCC(=O)N[C@@H](C)CC)N)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H23ClN4OS/c1-4-11(3)21-15(24)10-25-18-22-14(5-2)16(17(20)23-18)12-6-8-13(19)9-7-12/h6-9,11H,4-5,10H2,1-3H3,(H,21,24)(H2,20,22,23)/t11-/m0/s1