1,3,5-trimethyl-7-[4-(phenylsulfonyl)piperazin-1-yl]pyrazolo[4,3-d]pyrimidine

Systemtic Name: 1,3,5-trimethyl-7-[4-(phenylsulfonyl)piperazin-1-yl]pyrazolo[4,3-d]pyrimidine Openeye Name: 7-[4-(benzenesulfonyl)piperazin-1-yl]-1,3,5-trimethyl-pyrazolo[4,3-d]pyrimidine CAS Name: 7-[4-(benzenesulfonyl)-1-piperazinyl]-1,3,5-trimethylpyrazolo[4,3-d]pyrimidine IUPAC Name: 7-[4-(benzenesulfonyl)piperazin-1-yl]-1,3,5-trimethylpyrazolo[4,3-d]pyrimidine Traditional Name: 7-(4-besylpiperazino)-1,3,5-trimethyl-pyrazolo[4,3-d]pyrimidine Formula: C18H22N6O2S MolecularWeight: 386.47128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1N=C(N=C2N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)C)C

Isomeric SMILES

CC1=NN(C2=C1N=C(N=C2N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)C)C

InChI

InChI=1S/C18H22N6O2S/c1-13-16-17(22(3)21-13)18(20-14(2)19-16)23-9-11-24(12-10-23)27(25,26)15-7-5-4-6-8-15/h4-8H,9-12H2,1-3H3