ethyl (4S,5R)-2-(4-ethylpiperazin-4-ium-1-yl)-6-oxidanylidene-4-propan-2-yl-4,5-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S,5R)-2-(4-ethylpiperazin-4-ium-1-yl)-6-oxidanylidene-4-propan-2-yl-4,5-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S,5R)-2-(4-ethylpiperazin-4-ium-1-yl)-4-isopropyl-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S,5R)-2-(4-ethyl-1-piperazin-4-iumyl)-6-oxo-4-propan-2-yl-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S,5R)-2-(4-ethylpiperazin-4-ium-1-yl)-6-oxo-4-propan-2-yl-4,5-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S,5R)-2-(4-ethylpiperazin-4-ium-1-yl)-4-isopropyl-6-keto-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C16H29N4O3+ MolecularWeight: 325.42646

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC(C(C(=O)N2)C(=O)OCC)C(C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=N[C@H]([C@H](C(=O)N2)C(=O)OCC)C(C)C

InChI

InChI=1S/C16H28N4O3/c1-5-19-7-9-20(10-8-19)16-17-13(11(3)4)12(14(21)18-16)15(22)23-6-2/h11-13H,5-10H2,1-4H3,(H,17,18,21)/p+1/t12-,13+/m1/s1