ethyl (6R)-3-methyl-4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-2-oxidanylidene-6-phenyl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl (6R)-3-methyl-4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-2-oxidanylidene-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (6R)-3-methyl-4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-3-methyl-4-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (6R)-3-methyl-4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-2-keto-3-methyl-4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C20H30N4O3+2 MolecularWeight: 374.4772

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2)C)C[NH+]3CC[NH+](CC3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)N[C@@H]1C2=CC=CC=C2)C)C[NH+]3CC[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+2/t18-/m1/s1