1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-[4-chloranyl-6-(dipropylamino)pyrimidin-2-yl]sulfanyl-ethanone

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-[4-chloranyl-6-(dipropylamino)pyrimidin-2-yl]sulfanyl-ethanone Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-[4-chloro-6-(dipropylamino)pyrimidin-2-yl]sulfanyl-ethanone CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-[[4-chloro-6-(dipropylamino)-2-pyrimidinyl]thio]ethanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-[4-chloro-6-(dipropylamino)pyrimidin-2-yl]sulfanylethanone Traditional Name: 2-[[4-chloro-6-(dipropylamino)pyrimidin-2-yl]thio]-1-(4-piperonylpiperazino)ethanone Formula: C24H32ClN5O3S MolecularWeight: 506.06058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C1=CC(=NC(=N1)SCC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)Cl

Isomeric SMILES

CCCN(CCC)C1=CC(=NC(=N1)SCC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)Cl

InChI

InChI=1S/C24H32ClN5O3S/c1-3-7-29(8-4-2)22-14-21(25)26-24(27-22)34-16-23(31)30-11-9-28(10-12-30)15-18-5-6-19-20(13-18)33-17-32-19/h5-6,13-14H,3-4,7-12,15-17H2,1-2H3