2-ethyl-5-methyl-3-(phenylsulfonyl)-7-piperazin-1-yl-pyrazolo[1,5-a]pyrimidine

Systemtic Name: 2-ethyl-5-methyl-3-(phenylsulfonyl)-7-piperazin-1-yl-pyrazolo[1,5-a]pyrimidine Openeye Name: 3-(benzenesulfonyl)-2-ethyl-5-methyl-7-piperazin-1-yl-pyrazolo[1,5-a]pyrimidine CAS Name: 3-(benzenesulfonyl)-2-ethyl-5-methyl-7-(1-piperazinyl)pyrazolo[1,5-a]pyrimidine IUPAC Name: 3-(benzenesulfonyl)-2-ethyl-5-methyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine Traditional Name: 3-besyl-2-ethyl-5-methyl-7-piperazino-pyrazolo[1,5-a]pyrimidine Formula: C19H23N5O2S MolecularWeight: 385.48322

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN2C(=CC(=NC2=C1S(=O)(=O)C3=CC=CC=C3)C)N4CCNCC4

Isomeric SMILES

CCC1=NN2C(=CC(=NC2=C1S(=O)(=O)C3=CC=CC=C3)C)N4CCNCC4

InChI

InChI=1S/C19H23N5O2S/c1-3-16-18(27(25,26)15-7-5-4-6-8-15)19-21-14(2)13-17(24(19)22-16)23-11-9-20-10-12-23/h4-8,13,20H,3,9-12H2,1-2H3