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

Systemtic Name: [1-[[2-azanyl-6-(ethylamino)purin-9-yl]methyl]cyclopropyl]oxymethylphosphonic acid Openeye Name: [1-[[2-amino-6-(ethylamino)purin-9-yl]methyl]cyclopropoxy]methylphosphonic acid CAS Name: [1-[[2-amino-6-(ethylamino)-9-purinyl]methyl]cyclopropyl]oxymethylphosphonic acid IUPAC Name: [1-[[2-amino-6-(ethylamino)purin-9-yl]methyl]cyclopropyl]oxymethylphosphonic acid Traditional Name: [1-[[2-amino-6-(ethylamino)purin-9-yl]methyl]cyclopropoxy]methylphosphonic acid Formula: C12H19N6O4P MolecularWeight: 342.290821

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC2=C1N=CN2CC3(CC3)OCP(=O)(O)O)N

Isomeric SMILES

CCNC1=NC(=NC2=C1N=CN2CC3(CC3)OCP(=O)(O)O)N

InChI

InChI=1S/C12H19N6O4P/c1-2-14-9-8-10(17-11(13)16-9)18(6-15-8)5-12(3-4-12)22-7-23(19,20)21/h6H,2-5,7H2,1H3,(H2,19,20,21)(H3,13,14,16,17)