2-[2-azanyl-6-(1-cyclopropylethylamino)purin-9-yl]ethoxymethylphosphonic acid

Systemtic Name: 2-[2-azanyl-6-(1-cyclopropylethylamino)purin-9-yl]ethoxymethylphosphonic acid Openeye Name: 2-[2-amino-6-(1-cyclopropylethylamino)purin-9-yl]ethoxymethylphosphonic acid CAS Name: 2-[2-amino-6-(1-cyclopropylethylamino)-9-purinyl]ethoxymethylphosphonic acid IUPAC Name: 2-[2-amino-6-(1-cyclopropylethylamino)purin-9-yl]ethoxymethylphosphonic acid Traditional Name: 2-[2-amino-6-(1-cyclopropylethylamino)purin-9-yl]ethoxymethylphosphonic acid Formula: C13H21N6O4P MolecularWeight: 356.317401

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC1)NC2=NC(=NC3=C2N=CN3CCOCP(=O)(O)O)N

Isomeric SMILES

CC(C1CC1)NC2=NC(=NC3=C2N=CN3CCOCP(=O)(O)O)N

InChI

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