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

Systemtic Name: [[1-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]cyclopropyl]-methyl-amino]methylphosphonic acid Openeye Name: [[1-[(2-amino-6-oxo-3H-purin-9-yl)methyl]cyclopropyl]-methyl-amino]methylphosphonic acid CAS Name: [[1-[(2-amino-6-oxo-3H-purin-9-yl)methyl]cyclopropyl]-methylamino]methylphosphonic acid IUPAC Name: [[1-[(2-amino-6-oxo-3H-purin-9-yl)methyl]cyclopropyl]-methylamino]methylphosphonic acid Traditional Name: [[1-[(2-amino-6-keto-3H-purin-9-yl)methyl]cyclopropyl]-methyl-amino]methylphosphonic acid Formula: C11H17N6O4P MolecularWeight: 328.264241

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H17N6O4P/c1-16(6-22(19,20)21)11(2-3-11)4-17-5-13-7-8(17)14-10(12)15-9(7)18/h5H,2-4,6H2,1H3,(H2,19,20,21)(H3,12,14,15,18)