7-(4-methylpiperazin-1-yl)-2-methylsulfanyl-3-(phenylsulfonyl)-5-propyl-pyrazolo[1,5-a]pyrimidine

Systemtic Name: 7-(4-methylpiperazin-1-yl)-2-methylsulfanyl-3-(phenylsulfonyl)-5-propyl-pyrazolo[1,5-a]pyrimidine Openeye Name: 3-(benzenesulfonyl)-7-(4-methylpiperazin-1-yl)-2-methylsulfanyl-5-propyl-pyrazolo[1,5-a]pyrimidine CAS Name: 3-(benzenesulfonyl)-7-(4-methyl-1-piperazinyl)-2-(methylthio)-5-propylpyrazolo[1,5-a]pyrimidine IUPAC Name: 3-(benzenesulfonyl)-7-(4-methylpiperazin-1-yl)-2-methylsulfanyl-5-propylpyrazolo[1,5-a]pyrimidine Traditional Name: 3-besyl-7-(4-methylpiperazino)-2-(methylthio)-5-propyl-pyrazolo[1,5-a]pyrimidine Formula: C21H27N5O2S2 MolecularWeight: 445.60138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C(=NN2C(=C1)N3CCN(CC3)C)SC)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCCC1=NC2=C(C(=NN2C(=C1)N3CCN(CC3)C)SC)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H27N5O2S2/c1-4-8-16-15-18(25-13-11-24(2)12-14-25)26-20(22-16)19(21(23-26)29-3)30(27,28)17-9-6-5-7-10-17/h5-7,9-10,15H,4,8,11-14H2,1-3H3