4-(4-ethylsulfonylpiperazin-1-yl)-3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-(4-ethylsulfonylpiperazin-1-yl)-3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-(4-ethylsulfonylpiperazin-1-yl)-3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-(4-ethylsulfonyl-1-piperazinyl)-3-methyl-1-phenyl-6-propylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-(4-ethylsulfonylpiperazin-1-yl)-3-methyl-1-phenyl-6-propylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-(4-esylpiperazino)-3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidine Formula: C21H28N6O2S MolecularWeight: 428.55102

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C(=NN2C3=CC=CC=C3)C)C(=N1)N4CCN(CC4)S(=O)(=O)CC

Isomeric SMILES

CCCC1=NC2=C(C(=NN2C3=CC=CC=C3)C)C(=N1)N4CCN(CC4)S(=O)(=O)CC

InChI

InChI=1S/C21H28N6O2S/c1-4-9-18-22-20(25-12-14-26(15-13-25)30(28,29)5-2)19-16(3)24-27(21(19)23-18)17-10-7-6-8-11-17/h6-8,10-11H,4-5,9,12-15H2,1-3H3