methyl 1-methyl-5,6-bis(oxidanylidene)-2-[2-(phenylmethoxycarbonylamino)propan-2-yl]pyrimidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-methyl-5,6-bis(oxidanylidene)-2-[2-(phenylmethoxycarbonylamino)propan-2-yl]pyrimidin-1-ium-4-carboxylate Openeye Name: methyl 2-[1-(benzyloxycarbonylamino)-1-methyl-ethyl]-1-methyl-5,6-dioxo-pyrimidin-1-ium-4-carboxylate CAS Name: 1-methyl-5,6-dioxo-2-[2-(phenylmethoxycarbonylamino)propan-2-yl]-4-pyrimidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-methyl-5,6-dioxo-2-[2-(phenylmethoxycarbonylamino)propan-2-yl]pyrimidin-1-ium-4-carboxylate Traditional Name: 2-[1-(benzyloxycarbonylamino)-1-methyl-ethyl]-5,6-diketo-1-methyl-pyrimidin-1-ium-4-carboxylic acid methyl ester Formula: C18H20N3O6+ MolecularWeight: 374.3679

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=[N+](C(=O)C(=O)C(=N1)C(=O)OC)C)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C1=[N+](C(=O)C(=O)C(=N1)C(=O)OC)C)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C18H19N3O6/c1-18(2,20-17(25)27-10-11-8-6-5-7-9-11)16-19-12(15(24)26-4)13(22)14(23)21(16)3/h5-9H,10H2,1-4H3/p+1