[2-(6-chloranyl-9-phenethyl-purin-8-yl)furan-3-yl]phosphonic acid

Systemtic Name: [2-(6-chloranyl-9-phenethyl-purin-8-yl)furan-3-yl]phosphonic acid Openeye Name: [2-(6-chloro-9-phenethyl-purin-8-yl)-3-furyl]phosphonic acid CAS Name: [2-(6-chloro-9-phenethyl-8-purinyl)-3-furanyl]phosphonic acid IUPAC Name: [2-(6-chloro-9-phenethylpurin-8-yl)furan-3-yl]phosphonic acid Traditional Name: [2-(6-chloro-9-phenethyl-purin-8-yl)-3-furyl]phosphonic acid Formula: C17H14ClN4O4P MolecularWeight: 404.744221

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C3=C(C(=NC=N3)Cl)N=C2C4=C(C=CO4)P(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)CCN2C3=C(C(=NC=N3)Cl)N=C2C4=C(C=CO4)P(=O)(O)O

InChI

InChI=1S/C17H14ClN4O4P/c18-15-13-16(20-10-19-15)22(8-6-11-4-2-1-3-5-11)17(21-13)14-12(7-9-26-14)27(23,24)25/h1-5,7,9-10H,6,8H2,(H2,23,24,25)