3-(3-tert-butyl-1-methyl-7-oxidanylidene-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-ethoxy-N,N-dipentyl-benzenesulfonamide

Systemtic Name: 3-(3-tert-butyl-1-methyl-7-oxidanylidene-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-ethoxy-N,N-dipentyl-benzenesulfonamide Openeye Name: 3-(3-tert-butyl-1-methyl-7-oxo-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-ethoxy-N,N-dipentyl-benzenesulfonamide CAS Name: 3-(3-tert-butyl-1-methyl-7-oxo-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-ethoxy-N,N-dipentylbenzenesulfonamide IUPAC Name: 3-(3-tert-butyl-1-methyl-7-oxo-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-ethoxy-N,N-dipentylbenzenesulfonamide Traditional Name: N,N-diamyl-3-(3-tert-butyl-7-keto-1-methyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-ethoxy-benzenesulfonamide Formula: C28H43N5O4S MolecularWeight: 545.73712

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCCCC)S(=O)(=O)C1=CC(=C(C=C1)OCC)C2=NC(=O)C3=C(N2)C(=NN3C)C(C)(C)C

Isomeric SMILES

CCCCCN(CCCCC)S(=O)(=O)C1=CC(=C(C=C1)OCC)C2=NC(=O)C3=C(N2)C(=NN3C)C(C)(C)C

InChI

InChI=1S/C28H43N5O4S/c1-8-11-13-17-33(18-14-12-9-2)38(35,36)20-15-16-22(37-10-3)21(19-20)26-29-23-24(27(34)30-26)32(7)31-25(23)28(4,5)6/h15-16,19H,8-14,17-18H2,1-7H3,(H,29,30,34)