[1-[[2-azanyl-6-(4-nitrophenyl)sulfanyl-purin-9-yl]methyl]-2-methyl-cyclopropyl]oxymethylphosphonic acid

Systemtic Name: [1-[[2-azanyl-6-(4-nitrophenyl)sulfanyl-purin-9-yl]methyl]-2-methyl-cyclopropyl]oxymethylphosphonic acid Openeye Name: [1-[[2-amino-6-(4-nitrophenyl)sulfanyl-purin-9-yl]methyl]-2-methyl-cyclopropoxy]methylphosphonic acid CAS Name: [1-[[2-amino-6-[(4-nitrophenyl)thio]-9-purinyl]methyl]-2-methylcyclopropyl]oxymethylphosphonic acid IUPAC Name: [1-[[2-amino-6-(4-nitrophenyl)sulfanylpurin-9-yl]methyl]-2-methylcyclopropyl]oxymethylphosphonic acid Traditional Name: [1-[[2-amino-6-[(4-nitrophenyl)thio]purin-9-yl]methyl]-2-methyl-cyclopropoxy]methylphosphonic acid Formula: C17H19N6O6PS MolecularWeight: 466.408121

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC1(CN2C=NC3=C2N=C(N=C3SC4=CC=C(C=C4)[N+](=O)[O-])N)OCP(=O)(O)O

Isomeric SMILES

CC1CC1(CN2C=NC3=C2N=C(N=C3SC4=CC=C(C=C4)[N+](=O)[O-])N)OCP(=O)(O)O

InChI

InChI=1S/C17H19N6O6PS/c1-10-6-17(10,29-9-30(26,27)28)7-22-8-19-13-14(22)20-16(18)21-15(13)31-12-4-2-11(3-5-12)23(24)25/h2-5,8,10H,6-7,9H2,1H3,(H2,18,20,21)(H2,26,27,28)