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

Systemtic Name: [(2S)-1-[4-(2-dimethylaminoethylamino)-2-oxidanylidene-pyrimidin-1-yl]-3-oxidanyl-propan-2-yl]oxymethylphosphonic acid Openeye Name: [(1S)-1-[[4-(2-dimethylaminoethylamino)-2-oxo-pyrimidin-1-yl]methyl]-2-hydroxy-ethoxy]methylphosphonic acid CAS Name: [(2S)-1-[4-(2-dimethylaminoethylamino)-2-oxo-1-pyrimidinyl]-3-hydroxypropan-2-yl]oxymethylphosphonic acid IUPAC Name: [(2S)-1-[4-(2-dimethylaminoethylamino)-2-oxopyrimidin-1-yl]-3-hydroxypropan-2-yl]oxymethylphosphonic acid Traditional Name: [(1S)-1-[[4-(2-dimethylaminoethylamino)-2-keto-pyrimidin-1-yl]methyl]-2-hydroxy-ethoxy]methylphosphonic acid Formula: C12H23N4O6P MolecularWeight: 350.307981

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC1=NC(=O)N(C=C1)CC(CO)OCP(=O)(O)O

Isomeric SMILES

CN(C)CCNC1=NC(=O)N(C=C1)C[C@@H](CO)OCP(=O)(O)O

InChI

InChI=1S/C12H23N4O6P/c1-15(2)6-4-13-11-3-5-16(12(18)14-11)7-10(8-17)22-9-23(19,20)21/h3,5,10,17H,4,6-9H2,1-2H3,(H,13,14,18)(H2,19,20,21)/t10-/m0/s1