(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyrimidin-2-ylsulfanyl-propanamide

Systemtic Name: (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyrimidin-2-ylsulfanyl-propanamide Openeye Name: (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyrimidin-2-ylsulfanyl-propanamide CAS Name: (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-pyrimidinylthio)propanamide IUPAC Name: (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyrimidin-2-ylsulfanylpropanamide Traditional Name: (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-pyrimidylthio)propionamide Formula: C15H15N3O3S MolecularWeight: 317.3629

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCCO2)SC3=NC=CC=N3

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(C=C1)OCCO2)SC3=NC=CC=N3

InChI

InChI=1S/C15H15N3O3S/c1-10(22-15-16-5-2-6-17-15)14(19)18-11-3-4-12-13(9-11)21-8-7-20-12/h2-6,9-10H,7-8H2,1H3,(H,18,19)/t10-/m1/s1