2-(6-aminopurin-9-yl)ethoxymethylphosphonic acid; N-[4-chloranyl-3-(3-methylbut-2-enoxy)phenyl]-2-methyl-furan-3-carbothioamide

Systemtic Name: 2-(6-aminopurin-9-yl)ethoxymethylphosphonic acid; N-[4-chloranyl-3-(3-methylbut-2-enoxy)phenyl]-2-methyl-furan-3-carbothioamide Openeye Name: 2-(6-aminopurin-9-yl)ethoxymethylphosphonic acid; N-[4-chloro-3-(3-methylbut-2-enoxy)phenyl]-2-methyl-furan-3-carbothioamide CAS Name: 2-(6-aminopurin-9-yl)ethoxymethylphosphonic acid; N-[4-chloro-3-(3-methylbut-2-enoxy)phenyl]-2-methyl-3-furancarbothioamide IUPAC Name: 2-(6-aminopurin-9-yl)ethoxymethylphosphonic acid; N-[4-chloro-3-(3-methylbut-2-enoxy)phenyl]-2-methylfuran-3-carbothioamide Traditional Name: 2-adenin-9-ylethoxymethylphosphonic acid; N-[4-chloro-3-(3-methylbut-2-enoxy)phenyl]-2-methyl-furan-3-carbothioamide Formula: C25H30ClN6O6PS MolecularWeight: 609.034061

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C(=S)NC2=CC(=C(C=C2)Cl)OCC=C(C)C.C1=NC2=C(C(=N1)N)N=CN2CCOCP(=O)(O)O

Isomeric SMILES

CC1=C(C=CO1)C(=S)NC2=CC(=C(C=C2)Cl)OCC=C(C)C.C1=NC2=C(C(=N1)N)N=CN2CCOCP(=O)(O)O

InChI

InChI=1S/C17H18ClNO2S.C8H12N5O4P/c1-11(2)6-8-21-16-10-13(4-5-15(16)18)19-17(22)14-7-9-20-12(14)3;9-7-6-8(11-3-10-7)13(4-12-6)1-2-17-5-18(14,15)16/h4-7,9-10H,8H2,1-3H3,(H,19,22);3-4H,1-2,5H2,(H2,9,10,11)(H2,14,15,16)