2-methoxyethyl 3-ethyl-4-methyl-2-sulfanylidene-6-[3-(3,5,5-trimethylhexanoylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: 2-methoxyethyl 3-ethyl-4-methyl-2-sulfanylidene-6-[3-(3,5,5-trimethylhexanoylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylate Openeye Name: 2-methoxyethyl 3-ethyl-4-methyl-2-thioxo-6-[3-(3,5,5-trimethylhexanoylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-ethyl-4-methyl-2-sulfanylidene-6-[3-[(3,5,5-trimethyl-1-oxohexyl)amino]phenyl]-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 3-ethyl-4-methyl-2-sulfanylidene-6-[3-(3,5,5-trimethylhexanoylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-ethyl-4-methyl-2-thioxo-6-[3-(3,5,5-trimethylhexanoylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C26H39N3O4S MolecularWeight: 489.67056

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=S)C2=CC(=CC=C2)NC(=O)CC(C)CC(C)(C)C)C(=O)OCCOC)C

Isomeric SMILES

CCN1C(=C(C(NC1=S)C2=CC(=CC=C2)NC(=O)CC(C)CC(C)(C)C)C(=O)OCCOC)C

InChI

InChI=1S/C26H39N3O4S/c1-8-29-18(3)22(24(31)33-13-12-32-7)23(28-25(29)34)19-10-9-11-20(15-19)27-21(30)14-17(2)16-26(4,5)6/h9-11,15,17,23H,8,12-14,16H2,1-7H3,(H,27,30)(H,28,34)