(2R)-N-(1,3-benzodioxol-5-yl)-2-pyrimidin-2-ylsulfanyl-propanamide

Systemtic Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-pyrimidin-2-ylsulfanyl-propanamide Openeye Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-pyrimidin-2-ylsulfanyl-propanamide CAS Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-(2-pyrimidinylthio)propanamide IUPAC Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-pyrimidin-2-ylsulfanylpropanamide Traditional Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-(2-pyrimidylthio)propionamide Formula: C14H13N3O3S MolecularWeight: 303.33632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O3S/c1-9(21-14-15-5-2-6-16-14)13(18)17-10-3-4-11-12(7-10)20-8-19-11/h2-7,9H,8H2,1H3,(H,17,18)/t9-/m1/s1