ethyl (4S)-4-(furan-2-yl)-2-oxidanylidene-6-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-4-(furan-2-yl)-2-oxidanylidene-6-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-(2-furyl)-2-oxo-6-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(2-furanyl)-2-oxo-6-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-(furan-2-yl)-2-oxo-6-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(2-furyl)-2-keto-6-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H25N6O4+ MolecularWeight: 413.4503

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CO2)C[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@@H]1C2=CC=CO2)C[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C20H24N6O4/c1-2-29-18(27)16-14(23-20(28)24-17(16)15-5-3-12-30-15)13-25-8-10-26(11-9-25)19-21-6-4-7-22-19/h3-7,12,17H,2,8-11,13H2,1H3,(H2,23,24,28)/p+1/t17-/m1/s1