1-[2-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanylethanoyl]piperidine-3-carboxamide

Systemtic Name: 1-[2-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanylethanoyl]piperidine-3-carboxamide Openeye Name: 1-[2-[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanylacetyl]piperidine-3-carboxamide CAS Name: 1-[2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-2-pyrimidinyl]thio]-1-oxoethyl]-3-piperidinecarboxamide IUPAC Name: 1-[2-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanylacetyl]piperidine-3-carboxamide Traditional Name: 1-[2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]thio]acetyl]nipecotamide Formula: C20H24ClN5O2S MolecularWeight: 433.95486

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)SCC(=O)N2CCCC(C2)C(=O)N)N)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCC1=C(C(=NC(=N1)SCC(=O)N2CCCC(C2)C(=O)N)N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H24ClN5O2S/c1-2-15-17(12-5-7-14(21)8-6-12)18(22)25-20(24-15)29-11-16(27)26-9-3-4-13(10-26)19(23)28/h5-8,13H,2-4,9-11H2,1H3,(H2,23,28)(H2,22,24,25)