5,6-dimethyl-2-methylsulfanyl-3-(phenylsulfonyl)-7-piperazin-1-yl-pyrazolo[1,5-a]pyrimidine

Systemtic Name: 5,6-dimethyl-2-methylsulfanyl-3-(phenylsulfonyl)-7-piperazin-1-yl-pyrazolo[1,5-a]pyrimidine Openeye Name: 3-(benzenesulfonyl)-5,6-dimethyl-2-methylsulfanyl-7-piperazin-1-yl-pyrazolo[1,5-a]pyrimidine CAS Name: 3-(benzenesulfonyl)-5,6-dimethyl-2-(methylthio)-7-(1-piperazinyl)pyrazolo[1,5-a]pyrimidine IUPAC Name: 3-(benzenesulfonyl)-5,6-dimethyl-2-methylsulfanyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine Traditional Name: 3-besyl-5,6-dimethyl-2-(methylthio)-7-piperazino-pyrazolo[1,5-a]pyrimidine Formula: C19H23N5O2S2 MolecularWeight: 417.54822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(=C(C(=N2)SC)S(=O)(=O)C3=CC=CC=C3)N=C1C)N4CCNCC4

Isomeric SMILES

CC1=C(N2C(=C(C(=N2)SC)S(=O)(=O)C3=CC=CC=C3)N=C1C)N4CCNCC4

InChI

InChI=1S/C19H23N5O2S2/c1-13-14(2)21-17-16(28(25,26)15-7-5-4-6-8-15)18(27-3)22-24(17)19(13)23-11-9-20-10-12-23/h4-8,20H,9-12H2,1-3H3