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

Systemtic Name: 2-[[6-(1,3-benzodioxol-5-yl)-5-cyano-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanamide Openeye Name: 2-[[6-(1,3-benzodioxol-5-yl)-5-cyano-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide CAS Name: 2-[[6-(1,3-benzodioxol-5-yl)-5-cyano-4-oxo-1H-pyrimidin-2-yl]thio]acetamide IUPAC Name: 2-[[6-(1,3-benzodioxol-5-yl)-5-cyano-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide Traditional Name: 2-[[6-(1,3-benzodioxol-5-yl)-5-cyano-4-keto-1H-pyrimidin-2-yl]thio]acetamide Formula: C14H10N4O4S MolecularWeight: 330.3186

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=C(C(=O)N=C(N3)SCC(=O)N)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=C(C(=O)N=C(N3)SCC(=O)N)C#N

InChI

InChI=1S/C14H10N4O4S/c15-4-8-12(7-1-2-9-10(3-7)22-6-21-9)17-14(18-13(8)20)23-5-11(16)19/h1-3H,5-6H2,(H2,16,19)(H,17,18,20)