3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one Openeye Name: 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-1-[4-(2-thienylsulfonyl)piperazin-1-yl]propan-1-one CAS Name: 3-(2,4-dimethyl-3-pyrimido[1,2-b]indazolyl)-1-(4-thiophen-2-ylsulfonyl-1-piperazinyl)-1-propanone IUPAC Name: 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one Traditional Name: 3-(2,4-dimethylpyrimid[1,2-b]indazol-3-yl)-1-[4-(2-thienylsulfonyl)piperazino]propan-1-one Formula: C23H25N5O3S2 MolecularWeight: 483.6063

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=C3C=CC=CC3=NN12)C)CCC(=O)N4CCN(CC4)S(=O)(=O)C5=CC=CS5

Isomeric SMILES

CC1=C(C(=NC2=C3C=CC=CC3=NN12)C)CCC(=O)N4CCN(CC4)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C23H25N5O3S2/c1-16-18(17(2)28-23(24-16)19-6-3-4-7-20(19)25-28)9-10-21(29)26-11-13-27(14-12-26)33(30,31)22-8-5-15-32-22/h3-8,15H,9-14H2,1-2H3