3-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanylpentane-2,4-dione

Systemtic Name: 3-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanylpentane-2,4-dione Openeye Name: 3-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanylpentane-2,4-dione CAS Name: 3-[[6-(1-pyrrolidinyl)-4-pyrimidinyl]thio]pentane-2,4-dione IUPAC Name: 3-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanylpentane-2,4-dione Traditional Name: 3-[(6-pyrrolidinopyrimidin-4-yl)thio]pentane-2,4-dione Formula: C13H17N3O2S MolecularWeight: 279.35798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(=O)C)SC1=NC=NC(=C1)N2CCCC2

Isomeric SMILES

CC(=O)C(C(=O)C)SC1=NC=NC(=C1)N2CCCC2

InChI

InChI=1S/C13H17N3O2S/c1-9(17)13(10(2)18)19-12-7-11(14-8-15-12)16-5-3-4-6-16/h7-8,13H,3-6H2,1-2H3