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

Systemtic Name: [2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]aziridin-1-yl]methylphosphonic acid Openeye Name: [2-[(2-amino-6-oxo-3H-purin-9-yl)methyl]aziridin-1-yl]methylphosphonic acid CAS Name: [2-[(2-amino-6-oxo-3H-purin-9-yl)methyl]-1-aziridinyl]methylphosphonic acid IUPAC Name: [2-[(2-amino-6-oxo-3H-purin-9-yl)methyl]aziridin-1-yl]methylphosphonic acid Traditional Name: [2-[(2-amino-6-keto-3H-purin-9-yl)methyl]ethylenimin-1-yl]methylphosphonic acid Formula: C9H13N6O4P MolecularWeight: 300.211081

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N1CP(=O)(O)O)CN2C=NC3=C2NC(=NC3=O)N

Isomeric SMILES

C1C(N1CP(=O)(O)O)CN2C=NC3=C2NC(=NC3=O)N

InChI

InChI=1S/C9H13N6O4P/c10-9-12-7-6(8(16)13-9)11-3-14(7)1-5-2-15(5)4-20(17,18)19/h3,5H,1-2,4H2,(H2,17,18,19)(H3,10,12,13,16)