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

Systemtic Name: 2-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-N-(methylcarbamoyl)ethanamide Openeye Name: 2-[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-N-(methylcarbamoyl)acetamide CAS Name: 2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-2-pyrimidinyl]thio]-N-(methylcarbamoyl)acetamide IUPAC Name: 2-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanyl-N-(methylcarbamoyl)acetamide Traditional Name: 2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]thio]-N-(methylcarbamoyl)acetamide Formula: C16H18ClN5O2S MolecularWeight: 379.86442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClN5O2S/c1-3-11-13(9-4-6-10(17)7-5-9)14(18)22-16(20-11)25-8-12(23)21-15(24)19-2/h4-7H,3,8H2,1-2H3,(H2,18,20,22)(H2,19,21,23,24)