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

Systemtic Name: [1-[[2-azanyl-6-(propan-2-ylamino)purin-9-yl]methyl]cyclopropyl]oxymethylphosphonic acid Openeye Name: [1-[[2-amino-6-(isopropylamino)purin-9-yl]methyl]cyclopropoxy]methylphosphonic acid CAS Name: [1-[[2-amino-6-(propan-2-ylamino)-9-purinyl]methyl]cyclopropyl]oxymethylphosphonic acid IUPAC Name: [1-[[2-amino-6-(propan-2-ylamino)purin-9-yl]methyl]cyclopropyl]oxymethylphosphonic acid Traditional Name: [1-[[2-amino-6-(isopropylamino)purin-9-yl]methyl]cyclopropoxy]methylphosphonic acid Formula: C13H21N6O4P MolecularWeight: 356.317401

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NC(=NC2=C1N=CN2CC3(CC3)OCP(=O)(O)O)N

Isomeric SMILES

CC(C)NC1=NC(=NC2=C1N=CN2CC3(CC3)OCP(=O)(O)O)N

InChI

InChI=1S/C13H21N6O4P/c1-8(2)16-10-9-11(18-12(14)17-10)19(6-15-9)5-13(3-4-13)23-7-24(20,21)22/h6,8H,3-5,7H2,1-2H3,(H2,20,21,22)(H3,14,16,17,18)