7-(1-methyl-7-oxidanylidene-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-2,3-dihydro-1-benzofuran-5-sulfonyl chloride

Systemtic Name: 7-(1-methyl-7-oxidanylidene-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-2,3-dihydro-1-benzofuran-5-sulfonyl chloride Openeye Name: 7-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-2,3-dihydrobenzofuran-5-sulfonyl chloride CAS Name: 7-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-2,3-dihydrobenzofuran-5-sulfonyl chloride IUPAC Name: 7-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-2,3-dihydro-1-benzofuran-5-sulfonyl chloride Traditional Name: 7-(7-keto-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)coumaran-5-sulfonyl chloride Formula: C17H17ClN4O4S MolecularWeight: 408.85928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C2=C1NC(=NC2=O)C3=CC(=CC4=C3OCC4)S(=O)(=O)Cl)C

Isomeric SMILES

CCCC1=NN(C2=C1NC(=NC2=O)C3=CC(=CC4=C3OCC4)S(=O)(=O)Cl)C

InChI

InChI=1S/C17H17ClN4O4S/c1-3-4-12-13-14(22(2)21-12)17(23)20-16(19-13)11-8-10(27(18,24)25)7-9-5-6-26-15(9)11/h7-8H,3-6H2,1-2H3,(H,19,20,23)