6-chloranyl-9-[(1R,4S)-4-[nitro(phenylsulfonyl)methyl]cyclopent-2-en-1-yl]purine

Systemtic Name: 6-chloranyl-9-[(1R,4S)-4-[nitro(phenylsulfonyl)methyl]cyclopent-2-en-1-yl]purine Openeye Name: 9-[(1R,4S)-4-[benzenesulfonyl(nitro)methyl]cyclopent-2-en-1-yl]-6-chloro-purine CAS Name: 9-[(1R,4S)-4-[benzenesulfonyl(nitro)methyl]-1-cyclopent-2-enyl]-6-chloropurine IUPAC Name: 9-[(1R,4S)-4-[benzenesulfonyl(nitro)methyl]cyclopent-2-en-1-yl]-6-chloropurine Traditional Name: 9-[(1R,4S)-4-[besyl(nitro)methyl]cyclopent-2-en-1-yl]-6-chloro-purine Formula: C17H14ClN5O4S MolecularWeight: 419.84216

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C=CC1N2C=NC3=C2N=CN=C3Cl)C([N+](=O)[O-])S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1[C@@H](C=C[C@@H]1N2C=NC3=C2N=CN=C3Cl)C([N+](=O)[O-])S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C17H14ClN5O4S/c18-15-14-16(20-9-19-15)22(10-21-14)12-7-6-11(8-12)17(23(24)25)28(26,27)13-4-2-1-3-5-13/h1-7,9-12,17H,8H2/t11-,12+,17?/m1/s1