1-[4-ethoxy-5-(1-methyl-7-oxidanylidene-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)thiophen-3-yl]sulfonylpiperidine-4-carboxamide

Systemtic Name: 1-[4-ethoxy-5-(1-methyl-7-oxidanylidene-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)thiophen-3-yl]sulfonylpiperidine-4-carboxamide Openeye Name: 1-[[4-ethoxy-5-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-3-thienyl]sulfonyl]piperidine-4-carboxamide CAS Name: 1-[[4-ethoxy-5-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-3-thiophenyl]sulfonyl]-4-piperidinecarboxamide IUPAC Name: 1-[4-ethoxy-5-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)thiophen-3-yl]sulfonylpiperidine-4-carboxamide Traditional Name: 1-[[4-ethoxy-5-(7-keto-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-3-thienyl]sulfonyl]isonipecotamide Formula: C21H28N6O5S2 MolecularWeight: 508.61422

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C(=CS3)S(=O)(=O)N4CCC(CC4)C(=O)N)OCC)C

Isomeric SMILES

CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C(=CS3)S(=O)(=O)N4CCC(CC4)C(=O)N)OCC)C

InChI

InChI=1S/C21H28N6O5S2/c1-4-6-13-15-16(26(3)25-13)21(29)24-20(23-15)18-17(32-5-2)14(11-33-18)34(30,31)27-9-7-12(8-10-27)19(22)28/h11-12H,4-10H2,1-3H3,(H2,22,28)(H,23,24,29)