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

Systemtic Name: 2-[(6-azanyl-4-oxidanylidene-1H-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-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]acetamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]acetamide Formula: C15H14N4O5S MolecularWeight: 362.36046

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)CSC3=NC(=O)C=C(N3)N)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)CSC3=NC(=O)C=C(N3)N)OCO2

InChI

InChI=1S/C15H14N4O5S/c1-7(20)8-2-10-11(24-6-23-10)3-9(8)17-14(22)5-25-15-18-12(16)4-13(21)19-15/h2-4H,5-6H2,1H3,(H,17,22)(H3,16,18,19,21)