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

Systemtic Name: [1-[[2-(propan-2-ylamino)purin-9-yl]methyl]cyclopropyl]oxymethylphosphonic acid Openeye Name: [1-[[2-(isopropylamino)purin-9-yl]methyl]cyclopropoxy]methylphosphonic acid CAS Name: [1-[[2-(propan-2-ylamino)-9-purinyl]methyl]cyclopropyl]oxymethylphosphonic acid IUPAC Name: [1-[[2-(propan-2-ylamino)purin-9-yl]methyl]cyclopropyl]oxymethylphosphonic acid Traditional Name: [1-[[2-(isopropylamino)purin-9-yl]methyl]cyclopropoxy]methylphosphonic acid Formula: C13H20N5O4P MolecularWeight: 341.302761

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NC=C2C(=N1)N(C=N2)CC3(CC3)OCP(=O)(O)O

Isomeric SMILES

CC(C)NC1=NC=C2C(=N1)N(C=N2)CC3(CC3)OCP(=O)(O)O

InChI

InChI=1S/C13H20N5O4P/c1-9(2)16-12-14-5-10-11(17-12)18(7-15-10)6-13(3-4-13)22-8-23(19,20)21/h5,7,9H,3-4,6,8H2,1-2H3,(H,14,16,17)(H2,19,20,21)