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

Systemtic Name: 2-methylpropyl 3-ethyl-6-[4-(2-ethylhexanoylamino)phenyl]-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isobutyl 3-ethyl-6-[4-(2-ethylhexanoylamino)phenyl]-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-ethyl-6-[4-[(2-ethyl-1-oxohexyl)amino]phenyl]-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 3-ethyl-6-[4-(2-ethylhexanoylamino)phenyl]-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-ethyl-6-[4-(2-ethylhexanoylamino)phenyl]-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid isobutyl ester Formula: C26H39N3O3S MolecularWeight: 473.67116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)NC1=CC=C(C=C1)C2C(=C(N(C(=S)N2)CC)C)C(=O)OCC(C)C

Isomeric SMILES

CCCCC(CC)C(=O)NC1=CC=C(C=C1)C2C(=C(N(C(=S)N2)CC)C)C(=O)OCC(C)C

InChI

InChI=1S/C26H39N3O3S/c1-7-10-11-19(8-2)24(30)27-21-14-12-20(13-15-21)23-22(25(31)32-16-17(4)5)18(6)29(9-3)26(33)28-23/h12-15,17,19,23H,7-11,16H2,1-6H3,(H,27,30)(H,28,33)