2-[4-chloranyl-6-(dipropylamino)pyrimidin-2-yl]sulfanyl-1-[4-(phenylmethyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[4-chloranyl-6-(dipropylamino)pyrimidin-2-yl]sulfanyl-1-[4-(phenylmethyl)piperazin-1-yl]ethanone Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-[4-chloro-6-(dipropylamino)pyrimidin-2-yl]sulfanyl-ethanone CAS Name: 2-[[4-chloro-6-(dipropylamino)-2-pyrimidinyl]thio]-1-[4-(phenylmethyl)-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-[4-chloro-6-(dipropylamino)pyrimidin-2-yl]sulfanylethanone Traditional Name: 1-(4-benzylpiperazino)-2-[[4-chloro-6-(dipropylamino)pyrimidin-2-yl]thio]ethanone Formula: C23H32ClN5OS MolecularWeight: 462.05108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32ClN5OS/c1-3-10-28(11-4-2)21-16-20(24)25-23(26-21)31-18-22(30)29-14-12-27(13-15-29)17-19-8-6-5-7-9-19/h5-9,16H,3-4,10-15,17-18H2,1-2H3