ethyl 2-[6-methyl-4-oxidanylidene-2-[3-(thiomorpholin-4-ium-4-ylmethyl)phenyl]-1H-pyrimidin-5-yl]ethanoate

Systemtic Name: ethyl 2-[6-methyl-4-oxidanylidene-2-[3-(thiomorpholin-4-ium-4-ylmethyl)phenyl]-1H-pyrimidin-5-yl]ethanoate Openeye Name: ethyl 2-[6-methyl-4-oxo-2-[3-(thiomorpholin-4-ium-4-ylmethyl)phenyl]-1H-pyrimidin-5-yl]acetate CAS Name: 2-[6-methyl-4-oxo-2-[3-(4-thiomorpholin-4-iumylmethyl)phenyl]-1H-pyrimidin-5-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-methyl-4-oxo-2-[3-(thiomorpholin-4-ium-4-ylmethyl)phenyl]-1H-pyrimidin-5-yl]acetate Traditional Name: 2-[4-keto-6-methyl-2-[3-(thiomorpholin-4-ium-4-ylmethyl)phenyl]-1H-pyrimidin-5-yl]acetic acid ethyl ester Formula: C20H26N3O3S+ MolecularWeight: 388.50374

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=C(NC(=NC1=O)C2=CC(=CC=C2)C[NH+]3CCSCC3)C

Isomeric SMILES

CCOC(=O)CC1=C(NC(=NC1=O)C2=CC(=CC=C2)C[NH+]3CCSCC3)C

InChI

InChI=1S/C20H25N3O3S/c1-3-26-18(24)12-17-14(2)21-19(22-20(17)25)16-6-4-5-15(11-16)13-23-7-9-27-10-8-23/h4-6,11H,3,7-10,12-13H2,1-2H3,(H,21,22,25)/p+1