3-(3-tert-butyl-1-methyl-7-oxidanylidene-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-ethoxy-N-(2-oxidanylpropyl)-N-(phenylmethyl)benzenesulfonamide

Systemtic Name: 3-(3-tert-butyl-1-methyl-7-oxidanylidene-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-ethoxy-N-(2-oxidanylpropyl)-N-(phenylmethyl)benzenesulfonamide Openeye Name: N-benzyl-3-(3-tert-butyl-1-methyl-7-oxo-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-ethoxy-N-(2-hydroxypropyl)benzenesulfonamide CAS Name: 3-(3-tert-butyl-1-methyl-7-oxo-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-ethoxy-N-(2-hydroxypropyl)-N-(phenylmethyl)benzenesulfonamide IUPAC Name: N-benzyl-3-(3-tert-butyl-1-methyl-7-oxo-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-ethoxy-N-(2-hydroxypropyl)benzenesulfonamide Traditional Name: N-benzyl-3-(3-tert-butyl-7-keto-1-methyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-ethoxy-N-(2-hydroxypropyl)benzenesulfonamide Formula: C28H35N5O5S MolecularWeight: 553.673

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)CC(C)O)C3=NC(=O)C4=C(N3)C(=NN4C)C(C)(C)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)CC(C)O)C3=NC(=O)C4=C(N3)C(=NN4C)C(C)(C)C

InChI

InChI=1S/C28H35N5O5S/c1-7-38-22-14-13-20(39(36,37)33(16-18(2)34)17-19-11-9-8-10-12-19)15-21(22)26-29-23-24(27(35)30-26)32(6)31-25(23)28(3,4)5/h8-15,18,34H,7,16-17H2,1-6H3,(H,29,30,35)