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

Systemtic Name: ethyl (4S)-4-(4-chlorophenyl)-6-[(4-methylpiperazin-4-ium-1-yl)methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-(4-chlorophenyl)-6-[(4-methylpiperazin-4-ium-1-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(4-chlorophenyl)-6-[(4-methyl-1-piperazin-4-iumyl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-(4-chlorophenyl)-6-[(4-methylpiperazin-4-ium-1-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(4-chlorophenyl)-2-keto-6-[(4-methylpiperazin-4-ium-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C19H26ClN4O3+ MolecularWeight: 393.88774

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)Cl)CN3CC[NH+](CC3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C2=CC=C(C=C2)Cl)CN3CC[NH+](CC3)C

InChI

InChI=1S/C19H25ClN4O3/c1-3-27-18(25)16-15(12-24-10-8-23(2)9-11-24)21-19(26)22-17(16)13-4-6-14(20)7-5-13/h4-7,17H,3,8-12H2,1-2H3,(H2,21,22,26)/p+1/t17-/m0/s1