1,3-dimethyl-7-[4-(phenylmethyl)sulfonylpiperazin-1-yl]pyrazolo[4,3-d]pyrimidine

Systemtic Name: 1,3-dimethyl-7-[4-(phenylmethyl)sulfonylpiperazin-1-yl]pyrazolo[4,3-d]pyrimidine Openeye Name: 7-(4-benzylsulfonylpiperazin-1-yl)-1,3-dimethyl-pyrazolo[4,3-d]pyrimidine CAS Name: 1,3-dimethyl-7-[4-(phenylmethyl)sulfonyl-1-piperazinyl]pyrazolo[4,3-d]pyrimidine IUPAC Name: 7-(4-benzylsulfonylpiperazin-1-yl)-1,3-dimethylpyrazolo[4,3-d]pyrimidine Traditional Name: 7-(4-benzylsulfonylpiperazino)-1,3-dimethyl-pyrazolo[4,3-d]pyrimidine Formula: C18H22N6O2S MolecularWeight: 386.47128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1N=CN=C2N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=NN(C2=C1N=CN=C2N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4)C

InChI

InChI=1S/C18H22N6O2S/c1-14-16-17(22(2)21-14)18(20-13-19-16)23-8-10-24(11-9-23)27(25,26)12-15-6-4-3-5-7-15/h3-7,13H,8-12H2,1-2H3