[4-[4-ethoxy-3-(1-methyl-7-oxidanylidene-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]sulfonylpiperazin-1-yl] methanimidothioate

Systemtic Name: [4-[4-ethoxy-3-(1-methyl-7-oxidanylidene-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]sulfonylpiperazin-1-yl] methanimidothioate Openeye Name: [4-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]sulfonylpiperazin-1-yl] methanimidothioate CAS Name: methanimidothioic acid [4-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]sulfonyl-1-piperazinyl] ester IUPAC Name: [4-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]sulfonylpiperazin-1-yl] methanimidothioate Traditional Name: thioformimidic acid [4-[4-ethoxy-3-(7-keto-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]sulfonylpiperazino] ester Formula: C22H29N7O4S2 MolecularWeight: 519.64016

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)SC=N)OCC)C

Isomeric SMILES

CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)SC=N)OCC)C

InChI

InChI=1S/C22H29N7O4S2/c1-4-6-17-19-20(27(3)26-17)22(30)25-21(24-19)16-13-15(7-8-18(16)33-5-2)35(31,32)29-11-9-28(10-12-29)34-14-23/h7-8,13-14,23H,4-6,9-12H2,1-3H3,(H,24,25,30)