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

Systemtic Name: 2-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-N-(1,3-benzodioxol-5-yl)ethanamide Openeye Name: 2-[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-N-(1,3-benzodioxol-5-yl)acetamide CAS Name: 2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-2-pyrimidinyl]thio]-N-(1,3-benzodioxol-5-yl)acetamide IUPAC Name: 2-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanyl-N-(1,3-benzodioxol-5-yl)acetamide Traditional Name: 2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]thio]-N-(1,3-benzodioxol-5-yl)acetamide Formula: C21H19ClN4O3S MolecularWeight: 442.91856

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)SCC(=O)NC2=CC3=C(C=C2)OCO3)N)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCC1=C(C(=NC(=N1)SCC(=O)NC2=CC3=C(C=C2)OCO3)N)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H19ClN4O3S/c1-2-15-19(12-3-5-13(22)6-4-12)20(23)26-21(25-15)30-10-18(27)24-14-7-8-16-17(9-14)29-11-28-16/h3-9H,2,10-11H2,1H3,(H,24,27)(H2,23,25,26)