methyl 1-[2-[6-azanyl-1-cyclopropyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[2-[6-azanyl-1-cyclopropyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-(6-amino-1-cyclopropyl-2,4-dioxo-pyrimidin-5-yl)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-(6-amino-1-cyclopropyl-2,4-dioxo-5-pyrimidinyl)-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(6-amino-1-cyclopropyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-(6-amino-1-cyclopropyl-2,4-diketo-pyrimidin-5-yl)-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C16H23N4O5+ MolecularWeight: 351.37762

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)CC(=O)C2=C(N(C(=O)NC2=O)C3CC3)N

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)CC(=O)C2=C(N(C(=O)NC2=O)C3CC3)N

InChI

InChI=1S/C16H22N4O5/c1-25-15(23)9-4-6-19(7-5-9)8-11(21)12-13(17)20(10-2-3-10)16(24)18-14(12)22/h9-10H,2-8,17H2,1H3,(H,18,22,24)/p+1