ethyl (6S)-3-methyl-4-[(4-methylpiperazin-4-ium-1-yl)methyl]-2-oxidanylidene-6-phenyl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl (6S)-3-methyl-4-[(4-methylpiperazin-4-ium-1-yl)methyl]-2-oxidanylidene-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (6S)-3-methyl-4-[(4-methylpiperazin-4-ium-1-yl)methyl]-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-3-methyl-4-[(4-methyl-1-piperazin-4-iumyl)methyl]-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (6S)-3-methyl-4-[(4-methylpiperazin-4-ium-1-yl)methyl]-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-2-keto-3-methyl-4-[(4-methylpiperazin-4-ium-1-yl)methyl]-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C20H29N4O3+ MolecularWeight: 373.46926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4O3/c1-4-27-19(25)17-16(14-24-12-10-22(2)11-13-24)23(3)20(26)21-18(17)15-8-6-5-7-9-15/h5-9,18H,4,10-14H2,1-3H3,(H,21,26)/p+1/t18-/m0/s1