[2-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-(phosphonomethoxy)propoxy]methylphosphonic acid

Systemtic Name: [2-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-(phosphonomethoxy)propoxy]methylphosphonic acid Openeye Name: [2-(4-amino-2-oxo-pyrimidin-1-yl)-3-(phosphonomethoxy)propoxy]methylphosphonic acid CAS Name: [2-(4-amino-2-oxo-1-pyrimidinyl)-3-(phosphonomethoxy)propoxy]methylphosphonic acid IUPAC Name: [2-(4-amino-2-oxopyrimidin-1-yl)-3-(phosphonomethoxy)propoxy]methylphosphonic acid Traditional Name: [2-(4-amino-2-keto-pyrimidin-1-yl)-3-(phosphonomethoxy)propoxy]methylphosphonic acid Formula: C9H17N3O9P2 MolecularWeight: 373.193502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=O)N=C1N)C(COCP(=O)(O)O)COCP(=O)(O)O

Isomeric SMILES

C1=CN(C(=O)N=C1N)C(COCP(=O)(O)O)COCP(=O)(O)O

InChI

InChI=1S/C9H17N3O9P2/c10-8-1-2-12(9(13)11-8)7(3-20-5-22(14,15)16)4-21-6-23(17,18)19/h1-2,7H,3-6H2,(H2,10,11,13)(H2,14,15,16)(H2,17,18,19)