methyl (4R)-6-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-4-(3-methoxyphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl (4R)-6-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-4-(3-methoxyphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl (4R)-6-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-4-(3-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-6-[(4-ethyl-1-piperazine-1,4-diiumyl)methyl]-4-(3-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4R)-6-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-4-(3-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-6-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-2-keto-4-(3-methoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C20H30N4O4+2 MolecularWeight: 390.4766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)CC2=C(C(NC(=O)N2)C3=CC(=CC=C3)OC)C(=O)OC

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)CC2=C([C@H](NC(=O)N2)C3=CC(=CC=C3)OC)C(=O)OC

InChI

InChI=1S/C20H28N4O4/c1-4-23-8-10-24(11-9-23)13-16-17(19(25)28-3)18(22-20(26)21-16)14-6-5-7-15(12-14)27-2/h5-7,12,18H,4,8-11,13H2,1-3H3,(H2,21,22,26)/p+2/t18-/m1/s1