[(2S)-1-[5-ethyl-2-oxidanylidene-4-(prop-2-enylamino)pyrimidin-1-yl]-3-oxidanyl-propan-2-yl]oxymethylphosphonic acid

Systemtic Name: [(2S)-1-[5-ethyl-2-oxidanylidene-4-(prop-2-enylamino)pyrimidin-1-yl]-3-oxidanyl-propan-2-yl]oxymethylphosphonic acid Openeye Name: [(1S)-1-[[4-(allylamino)-5-ethyl-2-oxo-pyrimidin-1-yl]methyl]-2-hydroxy-ethoxy]methylphosphonic acid CAS Name: [(2S)-1-[5-ethyl-2-oxo-4-(prop-2-enylamino)-1-pyrimidinyl]-3-hydroxypropan-2-yl]oxymethylphosphonic acid IUPAC Name: [(2S)-1-[5-ethyl-2-oxo-4-(prop-2-enylamino)pyrimidin-1-yl]-3-hydroxypropan-2-yl]oxymethylphosphonic acid Traditional Name: [(1S)-1-[[4-(allylamino)-5-ethyl-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:

CCC1=CN(C(=O)N=C1NCC=C)CC(CO)OCP(=O)(O)O

Isomeric SMILES

CCC1=CN(C(=O)N=C1NCC=C)C[C@@H](CO)OCP(=O)(O)O

InChI

InChI=1S/C13H22N3O6P/c1-3-5-14-12-10(4-2)6-16(13(18)15-12)7-11(8-17)22-9-23(19,20)21/h3,6,11,17H,1,4-5,7-9H2,2H3,(H,14,15,18)(H2,19,20,21)/t11-/m0/s1