ethyl (4S,5S)-4-(furan-2-yl)-6-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S,5S)-4-(furan-2-yl)-6-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S,5S)-4-(2-furyl)-6-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S,5S)-4-(2-furanyl)-6-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S,5S)-4-(furan-2-yl)-6-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S,5S)-4-(2-furyl)-6-keto-2-(4-pyridin-1-ium-2-ylpiperazino)-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H24N5O4+ MolecularWeight: 398.43566

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N=C(NC1=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C4=CC=CO4

Isomeric SMILES

CCOC(=O)[C@H]1[C@H](N=C(NC1=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C4=CC=CO4

InChI

InChI=1S/C20H23N5O4/c1-2-28-19(27)16-17(14-6-5-13-29-14)22-20(23-18(16)26)25-11-9-24(10-12-25)15-7-3-4-8-21-15/h3-8,13,16-17H,2,9-12H2,1H3,(H,22,23,26)/p+1/t16-,17+/m0/s1