3-(3-methyl-4-oxidanylidene-1-propyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxy-benzenesulfonyl chloride

Systemtic Name: 3-(3-methyl-4-oxidanylidene-1-propyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxy-benzenesulfonyl chloride Openeye Name: 3-(3-methyl-4-oxo-1-propyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxy-benzenesulfonyl chloride CAS Name: 3-(3-methyl-4-oxo-1-propyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxybenzenesulfonyl chloride IUPAC Name: 3-(3-methyl-4-oxo-1-propyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxybenzenesulfonyl chloride Traditional Name: 3-(4-keto-3-methyl-1-propyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxy-benzenesulfonyl chloride Formula: C18H21ClN4O4S MolecularWeight: 424.90174

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=NC(=NC(=O)C2=C(N1)C)C3=C(C=CC(=C3)S(=O)(=O)Cl)OCCC

Isomeric SMILES

CCCN1C2=NC(=NC(=O)C2=C(N1)C)C3=C(C=CC(=C3)S(=O)(=O)Cl)OCCC

InChI

InChI=1S/C18H21ClN4O4S/c1-4-8-23-17-15(11(3)22-23)18(24)21-16(20-17)13-10-12(28(19,25)26)6-7-14(13)27-9-5-2/h6-7,10,22H,4-5,8-9H2,1-3H3