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

Systemtic Name: ethyl (4R,5R)-2-(4-ethylpiperazin-4-ium-1-yl)-4-(furan-2-yl)-6-oxidanylidene-4,5-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4R,5R)-2-(4-ethylpiperazin-4-ium-1-yl)-4-(2-furyl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R,5R)-2-(4-ethyl-1-piperazin-4-iumyl)-4-(2-furanyl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R,5R)-2-(4-ethylpiperazin-4-ium-1-yl)-4-(furan-2-yl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R,5R)-2-(4-ethylpiperazin-4-ium-1-yl)-4-(2-furyl)-6-keto-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C17H25N4O4+ MolecularWeight: 349.4048

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC(C(C(=O)N2)C(=O)OCC)C3=CC=CO3

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=N[C@H]([C@H](C(=O)N2)C(=O)OCC)C3=CC=CO3

InChI

InChI=1S/C17H24N4O4/c1-3-20-7-9-21(10-8-20)17-18-14(12-6-5-11-25-12)13(15(22)19-17)16(23)24-4-2/h5-6,11,13-14H,3-4,7-10H2,1-2H3,(H,18,19,22)/p+1/t13-,14+/m1/s1