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

Systemtic Name: 2-[6-azanyl-1-(4-chlorophenyl)-4-oxidanylidene-pyrimidin-2-yl]sulfanyl-N-(6-ethanoyl-1,3-benzodioxol-5-yl)ethanamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[6-amino-1-(4-chlorophenyl)-4-oxo-pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[[6-amino-1-(4-chlorophenyl)-4-oxo-2-pyrimidinyl]thio]acetamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[6-amino-1-(4-chlorophenyl)-4-oxopyrimidin-2-yl]sulfanylacetamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[[6-amino-1-(4-chlorophenyl)-4-keto-pyrimidin-2-yl]thio]acetamide Formula: C21H17ClN4O5S MolecularWeight: 472.90148

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)CSC3=NC(=O)C=C(N3C4=CC=C(C=C4)Cl)N)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)CSC3=NC(=O)C=C(N3C4=CC=C(C=C4)Cl)N)OCO2

InChI

InChI=1S/C21H17ClN4O5S/c1-11(27)14-6-16-17(31-10-30-16)7-15(14)24-20(29)9-32-21-25-19(28)8-18(23)26(21)13-4-2-12(22)3-5-13/h2-8H,9-10,23H2,1H3,(H,24,29)