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

Systemtic Name: 4-[4-ethoxy-3-(1-methyl-7-oxidanylidene-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]sulfonylpiperazine-1-carbothioamide Openeye Name: 4-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]sulfonylpiperazine-1-carbothioamide CAS Name: 4-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]sulfonyl-1-piperazinecarbothioamide IUPAC Name: 4-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]sulfonylpiperazine-1-carbothioamide Traditional Name: 4-[4-ethoxy-3-(7-keto-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]sulfonylpiperazine-1-carbothioamide 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)C(=S)N)OCC)C

Isomeric SMILES

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

InChI

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