3-(6-chloranylpurin-9-yl)-2-(naphthalen-1-ylsulfonylamino)propanoic acid

Systemtic Name: 3-(6-chloranylpurin-9-yl)-2-(naphthalen-1-ylsulfonylamino)propanoic acid Openeye Name: 3-(6-chloropurin-9-yl)-2-(1-naphthylsulfonylamino)propanoic acid CAS Name: 3-(6-chloro-9-purinyl)-2-(1-naphthalenylsulfonylamino)propanoic acid IUPAC Name: 3-(6-chloropurin-9-yl)-2-(naphthalen-1-ylsulfonylamino)propanoic acid Traditional Name: 3-(6-chloropurin-9-yl)-2-(1-naphthylsulfonylamino)propionic acid Formula: C18H14ClN5O4S MolecularWeight: 431.85286

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)NC(CN3C=NC4=C3N=CN=C4Cl)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)NC(CN3C=NC4=C3N=CN=C4Cl)C(=O)O

InChI

InChI=1S/C18H14ClN5O4S/c19-16-15-17(21-9-20-16)24(10-22-15)8-13(18(25)26)23-29(27,28)14-7-3-5-11-4-1-2-6-12(11)14/h1-7,9-10,13,23H,8H2,(H,25,26)