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

Systemtic Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propanamide Openeye Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide CAS Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-[(6-oxo-1H-pyrimidin-2-yl)thio]propanamide IUPAC Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide Traditional Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-[(6-keto-1H-pyrimidin-2-yl)thio]propionamide Formula: C14H13N3O4S MolecularWeight: 319.33572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC=CC(=O)N3

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC=CC(=O)N3

InChI

InChI=1S/C14H13N3O4S/c1-8(22-14-15-5-4-12(18)17-14)13(19)16-9-2-3-10-11(6-9)21-7-20-10/h2-6,8H,7H2,1H3,(H,16,19)(H,15,17,18)/t8-/m1/s1