2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-5-propylsulfonyl-pyrimidin-4-amine

Systemtic Name: 2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-5-propylsulfonyl-pyrimidin-4-amine Openeye Name: 2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-5-propylsulfonyl-pyrimidin-4-amine CAS Name: 2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-5-propylsulfonyl-4-pyrimidinamine IUPAC Name: 2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-5-propylsulfonylpyrimidin-4-amine Traditional Name: [2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-5-propylsulfonyl-pyrimidin-4-yl]amine Formula: C15H17N3O4S MolecularWeight: 335.37818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=CN=C(N=C1N)C2COC3=CC=CC=C3O2

Isomeric SMILES

CCCS(=O)(=O)C1=CN=C(N=C1N)[C@@H]2COC3=CC=CC=C3O2

InChI

InChI=1S/C15H17N3O4S/c1-2-7-23(19,20)13-8-17-15(18-14(13)16)12-9-21-10-5-3-4-6-11(10)22-12/h3-6,8,12H,2,7,9H2,1H3,(H2,16,17,18)/t12-/m0/s1