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

Systemtic Name: ethyl (4R)-2-oxidanylidene-6-[(4-phenylpiperazin-1-ium-1-yl)methyl]-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4R)-2-oxo-6-[(4-phenylpiperazin-1-ium-1-yl)methyl]-4-(2-thienyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-2-oxo-6-[(4-phenyl-1-piperazin-1-iumyl)methyl]-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-2-oxo-6-[(4-phenylpiperazin-1-ium-1-yl)methyl]-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-2-keto-6-[(4-phenylpiperazin-1-ium-1-yl)methyl]-4-(2-thienyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H27N4O3S+ MolecularWeight: 427.53978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CS2)C[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C2=CC=CS2)C[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H26N4O3S/c1-2-29-21(27)19-17(23-22(28)24-20(19)18-9-6-14-30-18)15-25-10-12-26(13-11-25)16-7-4-3-5-8-16/h3-9,14,20H,2,10-13,15H2,1H3,(H2,23,24,28)/p+1/t20-/m0/s1