disodium 5-methyl-1-[(3R)-4-oxidanyl-3-(phosphonatomethoxy)butanoyl]pyrimidine-2,4-dione

Systemtic Name: disodium 5-methyl-1-[(3R)-4-oxidanyl-3-(phosphonatomethoxy)butanoyl]pyrimidine-2,4-dione Openeye Name: disodium 1-[(3R)-4-hydroxy-3-(phosphonatomethoxy)butanoyl]-5-methyl-pyrimidine-2,4-dione CAS Name: disodium 1-[(3R)-4-hydroxy-1-oxo-3-(phosphonatomethoxy)butyl]-5-methylpyrimidine-2,4-dione IUPAC Name: disodium 1-[(3R)-4-hydroxy-3-(phosphonatomethoxy)butanoyl]-5-methylpyrimidine-2,4-dione Traditional Name: disodium 1-[(3R)-4-hydroxy-3-(phosphonatomethoxy)butanoyl]-5-methyl-pyrimidine-2,4-quinone Formula: C10H13N2Na2O8P MolecularWeight: 366.172121

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C(=O)CC(CO)OCP(=O)([O-])[O-].[Na+].[Na+]

Isomeric SMILES

CC1=CN(C(=O)NC1=O)C(=O)C[C@H](CO)OCP(=O)([O-])[O-].[Na+].[Na+]

InChI

InChI=1S/C10H15N2O8P.2Na/c1-6-3-12(10(16)11-9(6)15)8(14)2-7(4-13)20-5-21(17,18)19;;/h3,7,13H,2,4-5H2,1H3,(H,11,15,16)(H2,17,18,19);;/q;2*+1/p-2/t7-;;/m1../s1