ethyl 4-[4-[2,6-dimethyl-5-[(3-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[4-[2,6-dimethyl-5-[(3-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[4-[2,6-dimethyl-5-(m-tolylmethyl)pyrimidin-4-yl]piperazin-1-yl]-4-oxo-butanoate CAS Name: 4-[4-[2,6-dimethyl-5-[(3-methylphenyl)methyl]-4-pyrimidinyl]-1-piperazinyl]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[4-[2,6-dimethyl-5-[(3-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]-4-oxobutanoate Traditional Name: 4-[4-[2,6-dimethyl-5-(3-methylbenzyl)pyrimidin-4-yl]piperazino]-4-keto-butyric acid ethyl ester Formula: C24H32N4O3 MolecularWeight: 424.53588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=CC=CC(=C3)C)C)C

Isomeric SMILES

CCOC(=O)CCC(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=CC=CC(=C3)C)C)C

InChI

InChI=1S/C24H32N4O3/c1-5-31-23(30)10-9-22(29)27-11-13-28(14-12-27)24-21(18(3)25-19(4)26-24)16-20-8-6-7-17(2)15-20/h6-8,15H,5,9-14,16H2,1-4H3