2-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-N-(3-ethanoylphenyl)propanamide

Systemtic Name: 2-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-N-(3-ethanoylphenyl)propanamide Openeye Name: N-(3-acetylphenyl)-2-[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-propanamide CAS Name: N-(3-acetylphenyl)-2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-2-pyrimidinyl]thio]propanamide IUPAC Name: N-(3-acetylphenyl)-2-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanylpropanamide Traditional Name: N-(3-acetylphenyl)-2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]thio]propionamide Formula: C23H23ClN4O2S MolecularWeight: 454.97232

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)SC(C)C(=O)NC2=CC=CC(=C2)C(=O)C)N)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCC1=C(C(=NC(=N1)SC(C)C(=O)NC2=CC=CC(=C2)C(=O)C)N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H23ClN4O2S/c1-4-19-20(15-8-10-17(24)11-9-15)21(25)28-23(27-19)31-14(3)22(30)26-18-7-5-6-16(12-18)13(2)29/h5-12,14H,4H2,1-3H3,(H,26,30)(H2,25,27,28)