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

Systemtic Name: 5-(2-methoxyethyl)-2-methylsulfanyl-3-(phenylsulfonyl)-7-piperazin-1-yl-pyrazolo[1,5-a]pyrimidine Openeye Name: 3-(benzenesulfonyl)-5-(2-methoxyethyl)-2-methylsulfanyl-7-piperazin-1-yl-pyrazolo[1,5-a]pyrimidine CAS Name: 3-(benzenesulfonyl)-5-(2-methoxyethyl)-2-(methylthio)-7-(1-piperazinyl)pyrazolo[1,5-a]pyrimidine IUPAC Name: 3-(benzenesulfonyl)-5-(2-methoxyethyl)-2-methylsulfanyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine Traditional Name: 3-besyl-5-(2-methoxyethyl)-2-(methylthio)-7-piperazino-pyrazolo[1,5-a]pyrimidine Formula: C20H25N5O3S2 MolecularWeight: 447.5742

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Descriptors Computed from Structure

Canonical SMILES:

COCCC1=NC2=C(C(=NN2C(=C1)N3CCNCC3)SC)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

COCCC1=NC2=C(C(=NN2C(=C1)N3CCNCC3)SC)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H25N5O3S2/c1-28-13-8-15-14-17(24-11-9-21-10-12-24)25-19(22-15)18(20(23-25)29-2)30(26,27)16-6-4-3-5-7-16/h3-7,14,21H,8-13H2,1-2H3