2-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-N-(6-chloranyl-1,3-benzodioxol-5-yl)ethanamide

Systemtic Name: 2-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-N-(6-chloranyl-1,3-benzodioxol-5-yl)ethanamide Openeye Name: 2-[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-N-(6-chloro-1,3-benzodioxol-5-yl)acetamide CAS Name: 2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-2-pyrimidinyl]thio]-N-(6-chloro-1,3-benzodioxol-5-yl)acetamide IUPAC Name: 2-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanyl-N-(6-chloro-1,3-benzodioxol-5-yl)acetamide Traditional Name: 2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]thio]-N-(6-chloro-1,3-benzodioxol-5-yl)acetamide Formula: C21H18Cl2N4O3S MolecularWeight: 477.36362

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)SCC(=O)NC2=CC3=C(C=C2Cl)OCO3)N)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCC1=C(C(=NC(=N1)SCC(=O)NC2=CC3=C(C=C2Cl)OCO3)N)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H18Cl2N4O3S/c1-2-14-19(11-3-5-12(22)6-4-11)20(24)27-21(26-14)31-9-18(28)25-15-8-17-16(7-13(15)23)29-10-30-17/h3-8H,2,9-10H2,1H3,(H,25,28)(H2,24,26,27)