5-methyl-7-(4-methylpiperazin-1-yl)-2-methylsulfanyl-3-pyridin-3-ylsulfonyl-pyrazolo[1,5-a]pyrimidine

Systemtic Name: 5-methyl-7-(4-methylpiperazin-1-yl)-2-methylsulfanyl-3-pyridin-3-ylsulfonyl-pyrazolo[1,5-a]pyrimidine Openeye Name: 5-methyl-7-(4-methylpiperazin-1-yl)-2-methylsulfanyl-3-(3-pyridylsulfonyl)pyrazolo[1,5-a]pyrimidine CAS Name: 5-methyl-7-(4-methyl-1-piperazinyl)-2-(methylthio)-3-(3-pyridinylsulfonyl)pyrazolo[1,5-a]pyrimidine IUPAC Name: 5-methyl-7-(4-methylpiperazin-1-yl)-2-methylsulfanyl-3-pyridin-3-ylsulfonylpyrazolo[1,5-a]pyrimidine Traditional Name: 5-methyl-7-(4-methylpiperazino)-2-(methylthio)-3-(3-pyridylsulfonyl)pyrazolo[1,5-a]pyrimidine Formula: C18H22N6O2S2 MolecularWeight: 418.53628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=NN2C(=C1)N3CCN(CC3)C)SC)S(=O)(=O)C4=CN=CC=C4

Isomeric SMILES

CC1=NC2=C(C(=NN2C(=C1)N3CCN(CC3)C)SC)S(=O)(=O)C4=CN=CC=C4

InChI

InChI=1S/C18H22N6O2S2/c1-13-11-15(23-9-7-22(2)8-10-23)24-17(20-13)16(18(21-24)27-3)28(25,26)14-5-4-6-19-12-14/h4-6,11-12H,7-10H2,1-3H3