4-azanyl-1-[4-azido-5-(1-oxidanyl-2,2-diphosphonato-ethyl)oxolan-2-yl]pyrimidin-2-one

Systemtic Name: 4-azanyl-1-[4-azido-5-(1-oxidanyl-2,2-diphosphonato-ethyl)oxolan-2-yl]pyrimidin-2-one Openeye Name: 4-amino-1-[4-azido-5-(1-hydroxy-2,2-diphosphonato-ethyl)tetrahydrofuran-2-yl]pyrimidin-2-one CAS Name: 4-amino-1-[4-azido-5-(1-hydroxy-2,2-diphosphonatoethyl)-2-oxolanyl]-2-pyrimidinone IUPAC Name: 4-amino-1-[4-azido-5-(1-hydroxy-2,2-diphosphonatoethyl)oxolan-2-yl]pyrimidin-2-one Traditional Name: 4-amino-1-[4-azido-5-(1-hydroxy-2,2-diphosphonato-ethyl)tetrahydrofuran-2-yl]pyrimidin-2-one Formula: C10H12N6O9P2-4 MolecularWeight: 422.184602

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=CC(=NC2=O)N)C(C(P(=O)([O-])[O-])P(=O)([O-])[O-])O)N=[N+]=[N-]

Isomeric SMILES

C1C(C(OC1N2C=CC(=NC2=O)N)C(C(P(=O)([O-])[O-])P(=O)([O-])[O-])O)N=[N+]=[N-]

InChI

InChI=1S/C10H16N6O9P2/c11-5-1-2-16(10(18)13-5)6-3-4(14-15-12)8(25-6)7(17)9(26(19,20)21)27(22,23)24/h1-2,4,6-9,17H,3H2,(H2,11,13,18)(H2,19,20,21)(H2,22,23,24)/p-4