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

Systemtic Name: ethyl 6-[4-(2-ethylhexanoylamino)phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-[4-(2-ethylhexanoylamino)phenyl]-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-[4-[(2-ethyl-1-oxohexyl)amino]phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-(2-ethylhexanoylamino)phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[4-(2-ethylhexanoylamino)phenyl]-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C23H33N3O3S MolecularWeight: 431.59142

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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)C)C)C(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C23H33N3O3S/c1-6-9-10-16(7-2)21(27)24-18-13-11-17(12-14-18)20-19(22(28)29-8-3)15(4)26(5)23(30)25-20/h11-14,16,20H,6-10H2,1-5H3,(H,24,27)(H,25,30)