N-(1,3-benzodioxol-5-yl)-3-[(4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-3-[(4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide CAS Name: N-(1,3-benzodioxol-5-yl)-3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-3-[(4-hydroxy-6-keto-1H-pyrimidin-2-yl)thio]propionamide Formula: C14H13N3O5S MolecularWeight: 335.33512

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CCSC3=NC(=CC(=O)N3)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CCSC3=NC(=CC(=O)N3)O

InChI

InChI=1S/C14H13N3O5S/c18-11(3-4-23-14-16-12(19)6-13(20)17-14)15-8-1-2-9-10(5-8)22-7-21-9/h1-2,5-6H,3-4,7H2,(H,15,18)(H2,16,17,19,20)