5-(6-chloranyl-9-phenethyl-purin-8-yl)furan-2-sulfonic acid

Systemtic Name: 5-(6-chloranyl-9-phenethyl-purin-8-yl)furan-2-sulfonic acid Openeye Name: 5-(6-chloro-9-phenethyl-purin-8-yl)furan-2-sulfonic acid CAS Name: 5-(6-chloro-9-phenethyl-8-purinyl)-2-furansulfonic acid IUPAC Name: 5-(6-chloro-9-phenethylpurin-8-yl)furan-2-sulfonic acid Traditional Name: 5-(6-chloro-9-phenethyl-purin-8-yl)furan-2-sulfonic acid Formula: C17H13ClN4O4S MolecularWeight: 404.82752

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C3=C(C(=NC=N3)Cl)N=C2C4=CC=C(O4)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCN2C3=C(C(=NC=N3)Cl)N=C2C4=CC=C(O4)S(=O)(=O)O

InChI

InChI=1S/C17H13ClN4O4S/c18-15-14-17(20-10-19-15)22(9-8-11-4-2-1-3-5-11)16(21-14)12-6-7-13(26-12)27(23,24)25/h1-7,10H,8-9H2,(H,23,24,25)