(2R)-2-[[2-azanyl-1,3-dimethyl-4,6-bis(oxidanylidene)pyrimidin-1-ium-5-yl]methylideneamino]pentanedioate

Systemtic Name: (2R)-2-[[2-azanyl-1,3-dimethyl-4,6-bis(oxidanylidene)pyrimidin-1-ium-5-yl]methylideneamino]pentanedioate Openeye Name: (2R)-2-[(2-amino-1,3-dimethyl-4,6-dioxo-pyrimidin-1-ium-5-yl)methyleneamino]pentanedioate CAS Name: (2R)-2-[(2-amino-1,3-dimethyl-4,6-dioxo-5-pyrimidin-1-iumyl)methylideneamino]pentanedioate IUPAC Name: (2R)-2-[(2-amino-1,3-dimethyl-4,6-dioxopyrimidin-1-ium-5-yl)methylideneamino]pentanedioate Traditional Name: (2R)-2-[(2-amino-4,6-diketo-1,3-dimethyl-pyrimidin-1-ium-5-yl)methyleneamino]glutarate Formula: C12H15N4O6- MolecularWeight: 311.2707

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(C(=O)[N+](=C1N)C)C=NC(CCC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CN1C(=O)C(C(=O)[N+](=C1N)C)C=N[C@H](CCC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C12H16N4O6/c1-15-9(19)6(10(20)16(2)12(15)13)5-14-7(11(21)22)3-4-8(17)18/h5-7,13H,3-4H2,1-2H3,(H2,17,18,21,22)/p-1/t7-/m1/s1