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

Systemtic Name: 2-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-N-(2,5-dimethoxyphenyl)ethanamide Openeye Name: 2-[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-N-(2,5-dimethoxyphenyl)acetamide CAS Name: 2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-2-pyrimidinyl]thio]-N-(2,5-dimethoxyphenyl)acetamide IUPAC Name: 2-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanyl-N-(2,5-dimethoxyphenyl)acetamide Traditional Name: 2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]thio]-N-(2,5-dimethoxyphenyl)acetamide Formula: C22H23ClN4O3S MolecularWeight: 458.96102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN4O3S/c1-4-16-20(13-5-7-14(23)8-6-13)21(24)27-22(26-16)31-12-19(28)25-17-11-15(29-2)9-10-18(17)30-3/h5-11H,4,12H2,1-3H3,(H,25,28)(H2,24,26,27)