2-[1-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]cyclopropyl]propylphosphonic acid

Systemtic Name: 2-[1-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]cyclopropyl]propylphosphonic acid Openeye Name: 2-[1-[(2-amino-6-oxo-3H-purin-9-yl)methyl]cyclopropyl]propylphosphonic acid CAS Name: 2-[1-[(2-amino-6-oxo-3H-purin-9-yl)methyl]cyclopropyl]propylphosphonic acid IUPAC Name: 2-[1-[(2-amino-6-oxo-3H-purin-9-yl)methyl]cyclopropyl]propylphosphonic acid Traditional Name: 2-[1-[(2-amino-6-keto-3H-purin-9-yl)methyl]cyclopropyl]propylphosphonic acid Formula: C12H18N5O4P MolecularWeight: 327.276181

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Descriptors Computed from Structure

Canonical SMILES:

CC(CP(=O)(O)O)C1(CC1)CN2C=NC3=C2NC(=NC3=O)N

Isomeric SMILES

CC(CP(=O)(O)O)C1(CC1)CN2C=NC3=C2NC(=NC3=O)N

InChI

InChI=1S/C12H18N5O4P/c1-7(4-22(19,20)21)12(2-3-12)5-17-6-14-8-9(17)15-11(13)16-10(8)18/h6-7H,2-5H2,1H3,(H2,19,20,21)(H3,13,15,16,18)