5-chloranyl-N-(furan-2-ylmethyl)-1,3-dimethyl-N-(7H-purin-6-yl)pyrazole-4-sulfonamide

Systemtic Name: 5-chloranyl-N-(furan-2-ylmethyl)-1,3-dimethyl-N-(7H-purin-6-yl)pyrazole-4-sulfonamide Openeye Name: 5-chloro-N-(2-furylmethyl)-1,3-dimethyl-N-(7H-purin-6-yl)pyrazole-4-sulfonamide CAS Name: 5-chloro-N-(2-furanylmethyl)-1,3-dimethyl-N-(7H-purin-6-yl)-4-pyrazolesulfonamide IUPAC Name: 5-chloro-N-(furan-2-ylmethyl)-1,3-dimethyl-N-(7H-purin-6-yl)pyrazole-4-sulfonamide Traditional Name: 5-chloro-N-(2-furfuryl)-1,3-dimethyl-N-(7H-purin-6-yl)pyrazole-4-sulfonamide Formula: C15H14ClN7O3S MolecularWeight: 407.83476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1S(=O)(=O)N(CC2=CC=CO2)C3=NC=NC4=C3NC=N4)Cl)C

Isomeric SMILES

CC1=NN(C(=C1S(=O)(=O)N(CC2=CC=CO2)C3=NC=NC4=C3NC=N4)Cl)C

InChI

InChI=1S/C15H14ClN7O3S/c1-9-12(13(16)22(2)21-9)27(24,25)23(6-10-4-3-5-26-10)15-11-14(18-7-17-11)19-8-20-15/h3-5,7-8H,6H2,1-2H3,(H,17,18,19,20)