4-tert-butyl-N-[4-ethoxy-3-(1-methyl-7-oxidanylidene-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]sulfonyl-benzamide

Systemtic Name: 4-tert-butyl-N-[4-ethoxy-3-(1-methyl-7-oxidanylidene-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]sulfonyl-benzamide Openeye Name: 4-tert-butyl-N-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]sulfonyl-benzamide CAS Name: 4-tert-butyl-N-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]sulfonylbenzamide IUPAC Name: 4-tert-butyl-N-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]sulfonylbenzamide Traditional Name: 4-tert-butyl-N-[4-ethoxy-3-(7-keto-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]sulfonyl-benzamide Formula: C28H33N5O5S MolecularWeight: 551.65712

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)NC(=O)C4=CC=C(C=C4)C(C)(C)C)OCC)C

Isomeric SMILES

CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)NC(=O)C4=CC=C(C=C4)C(C)(C)C)OCC)C

InChI

InChI=1S/C28H33N5O5S/c1-7-9-21-23-24(33(6)31-21)27(35)30-25(29-23)20-16-19(14-15-22(20)38-8-2)39(36,37)32-26(34)17-10-12-18(13-11-17)28(3,4)5/h10-16H,7-9H2,1-6H3,(H,32,34)(H,29,30,35)