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

Systemtic Name: ethyl (4R)-2-oxidanylidene-4-phenyl-6-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4R)-2-oxo-4-phenyl-6-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-2-oxo-4-phenyl-6-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-2-oxo-4-phenyl-6-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-2-keto-4-phenyl-6-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H27N6O3+ MolecularWeight: 423.48818

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)C[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

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

InChI

InChI=1S/C22H26N6O3/c1-2-31-20(29)18-17(25-22(30)26-19(18)16-7-4-3-5-8-16)15-27-11-13-28(14-12-27)21-23-9-6-10-24-21/h3-10,19H,2,11-15H2,1H3,(H2,25,26,30)/p+1/t19-/m1/s1