[(2S)-1-[4-(cyclopentylamino)-2-oxidanylidene-pyrimidin-1-yl]-3-oxidanyl-propan-2-yl]oxymethylphosphonic acid

Systemtic Name: [(2S)-1-[4-(cyclopentylamino)-2-oxidanylidene-pyrimidin-1-yl]-3-oxidanyl-propan-2-yl]oxymethylphosphonic acid Openeye Name: [(1S)-1-[[4-(cyclopentylamino)-2-oxo-pyrimidin-1-yl]methyl]-2-hydroxy-ethoxy]methylphosphonic acid CAS Name: [(2S)-1-[4-(cyclopentylamino)-2-oxo-1-pyrimidinyl]-3-hydroxypropan-2-yl]oxymethylphosphonic acid IUPAC Name: [(2S)-1-[4-(cyclopentylamino)-2-oxopyrimidin-1-yl]-3-hydroxypropan-2-yl]oxymethylphosphonic acid Traditional Name: [(1S)-1-[[4-(cyclopentylamino)-2-keto-pyrimidin-1-yl]methyl]-2-hydroxy-ethoxy]methylphosphonic acid Formula: C13H22N3O6P MolecularWeight: 347.304041

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC2=NC(=O)N(C=C2)CC(CO)OCP(=O)(O)O

Isomeric SMILES

C1CCC(C1)NC2=NC(=O)N(C=C2)C[C@@H](CO)OCP(=O)(O)O

InChI

InChI=1S/C13H22N3O6P/c17-8-11(22-9-23(19,20)21)7-16-6-5-12(15-13(16)18)14-10-3-1-2-4-10/h5-6,10-11,17H,1-4,7-9H2,(H,14,15,18)(H2,19,20,21)/t11-/m0/s1