[3-[[6-azanyl-2-(2-methoxyethoxy)-8-sulfanylidene-7H-purin-9-yl]methyl]phenyl]methyl-methyl-phosphinic acid

Systemtic Name: [3-[[6-azanyl-2-(2-methoxyethoxy)-8-sulfanylidene-7H-purin-9-yl]methyl]phenyl]methyl-methyl-phosphinic acid Openeye Name: [3-[[6-amino-2-(2-methoxyethoxy)-8-thioxo-7H-purin-9-yl]methyl]phenyl]methyl-methyl-phosphinic acid CAS Name: [3-[[6-amino-2-(2-methoxyethoxy)-8-sulfanylidene-7H-purin-9-yl]methyl]phenyl]methyl-methylphosphinic acid IUPAC Name: [3-[[6-amino-2-(2-methoxyethoxy)-8-sulfanylidene-7H-purin-9-yl]methyl]phenyl]methyl-methylphosphinic acid Traditional Name: [3-[[6-amino-2-(2-methoxyethoxy)-8-thioxo-7H-purin-9-yl]methyl]benzyl]-methyl-phosphinic acid Formula: C17H22N5O4PS MolecularWeight: 423.426441

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=NC2=C(C(=N1)N)NC(=S)N2CC3=CC(=CC=C3)CP(=O)(C)O

Isomeric SMILES

COCCOC1=NC2=C(C(=N1)N)NC(=S)N2CC3=CC(=CC=C3)CP(=O)(C)O

InChI

InChI=1S/C17H22N5O4PS/c1-25-6-7-26-16-20-14(18)13-15(21-16)22(17(28)19-13)9-11-4-3-5-12(8-11)10-27(2,23)24/h3-5,8H,6-7,9-10H2,1-2H3,(H,19,28)(H,23,24)(H2,18,20,21)