2-methyl-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: 2-methyl-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: 2-methyl-7-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-2,3-dihydrobenzofuran-5-sulfonyl chloride CAS Name: 2-methyl-7-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-2,3-dihydrobenzofuran-5-sulfonyl chloride IUPAC Name: 2-methyl-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)-2-methyl-coumaran-5-sulfonyl chloride Formula: C18H19ClN4O4S MolecularWeight: 422.88586

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C2=C1NC(=NC2=O)C3=CC(=CC4=C3OC(C4)C)S(=O)(=O)Cl)C

Isomeric SMILES

CCCC1=NN(C2=C1NC(=NC2=O)C3=CC(=CC4=C3OC(C4)C)S(=O)(=O)Cl)C

InChI

InChI=1S/C18H19ClN4O4S/c1-4-5-13-14-15(23(3)22-13)18(24)21-17(20-14)12-8-11(28(19,25)26)7-10-6-9(2)27-16(10)12/h7-9H,4-6H2,1-3H3,(H,20,21,24)