N-[2-[(2-chloranyl-9-cyclopentyl-purin-6-yl)amino]ethyl]-4-methoxy-benzenesulfonamide

Systemtic Name: N-[2-[(2-chloranyl-9-cyclopentyl-purin-6-yl)amino]ethyl]-4-methoxy-benzenesulfonamide Openeye Name: N-[2-[(2-chloro-9-cyclopentyl-purin-6-yl)amino]ethyl]-4-methoxy-benzenesulfonamide CAS Name: N-[2-[(2-chloro-9-cyclopentyl-6-purinyl)amino]ethyl]-4-methoxybenzenesulfonamide IUPAC Name: N-[2-[(2-chloro-9-cyclopentylpurin-6-yl)amino]ethyl]-4-methoxybenzenesulfonamide Traditional Name: N-[2-[(2-chloro-9-cyclopentyl-purin-6-yl)amino]ethyl]-4-methoxy-benzenesulfonamide Formula: C19H23ClN6O3S MolecularWeight: 450.94232

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)NCCNC2=NC(=NC3=C2N=CN3C4CCCC4)Cl

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)NCCNC2=NC(=NC3=C2N=CN3C4CCCC4)Cl

InChI

InChI=1S/C19H23ClN6O3S/c1-29-14-6-8-15(9-7-14)30(27,28)23-11-10-21-17-16-18(25-19(20)24-17)26(12-22-16)13-4-2-3-5-13/h6-9,12-13,23H,2-5,10-11H2,1H3,(H,21,24,25)