disodium 5-methyl-1-[[2-(phosphonatomethyl)cyclopenten-1-yl]methyl]pyrimidine-2,4-dione

Systemtic Name: disodium 5-methyl-1-[[2-(phosphonatomethyl)cyclopenten-1-yl]methyl]pyrimidine-2,4-dione Openeye Name: disodium 5-methyl-1-[[2-(phosphonatomethyl)cyclopenten-1-yl]methyl]pyrimidine-2,4-dione CAS Name: disodium 5-methyl-1-[[2-(phosphonatomethyl)-1-cyclopentenyl]methyl]pyrimidine-2,4-dione IUPAC Name: disodium 5-methyl-1-[[2-(phosphonatomethyl)cyclopenten-1-yl]methyl]pyrimidine-2,4-dione Traditional Name: disodium 5-methyl-1-[[2-(phosphonatomethyl)cyclopenten-1-yl]methyl]pyrimidine-2,4-quinone Formula: C12H15N2Na2O5P MolecularWeight: 344.211201

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)CC2=C(CCC2)CP(=O)([O-])[O-].[Na+].[Na+]

Isomeric SMILES

CC1=CN(C(=O)NC1=O)CC2=C(CCC2)CP(=O)([O-])[O-].[Na+].[Na+]

InChI

InChI=1S/C12H17N2O5P.2Na/c1-8-5-14(12(16)13-11(8)15)6-9-3-2-4-10(9)7-20(17,18)19;;/h5H,2-4,6-7H2,1H3,(H,13,15,16)(H2,17,18,19);;/q;2*+1/p-2