1-(1,3-benzodioxol-5-ylmethyl)-4-(2-methylsulfanylpyrimidin-4-yl)piperazin-2-one

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2-methylsulfanylpyrimidin-4-yl)piperazin-2-one Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2-methylsulfanylpyrimidin-4-yl)piperazin-2-one CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[2-(methylthio)-4-pyrimidinyl]-2-piperazinone IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2-methylsulfanylpyrimidin-4-yl)piperazin-2-one Traditional Name: 4-[2-(methylthio)pyrimidin-4-yl]-1-piperonyl-piperazin-2-one Formula: C17H18N4O3S MolecularWeight: 358.41482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=CC(=N1)N2CCN(C(=O)C2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CSC1=NC=CC(=N1)N2CCN(C(=O)C2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H18N4O3S/c1-25-17-18-5-4-15(19-17)20-6-7-21(16(22)10-20)9-12-2-3-13-14(8-12)24-11-23-13/h2-5,8H,6-7,9-11H2,1H3