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

Systemtic Name: 2-methoxyethyl 6-[3-(2-ethylhexanoylamino)phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: 2-methoxyethyl 6-[3-(2-ethylhexanoylamino)phenyl]-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-[3-[(2-ethyl-1-oxohexyl)amino]phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 6-[3-(2-ethylhexanoylamino)phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[3-(2-ethylhexanoylamino)phenyl]-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C24H35N3O4S MolecularWeight: 461.6174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H35N3O4S/c1-6-8-10-17(7-2)22(28)25-19-12-9-11-18(15-19)21-20(23(29)31-14-13-30-5)16(3)27(4)24(32)26-21/h9,11-12,15,17,21H,6-8,10,13-14H2,1-5H3,(H,25,28)(H,26,32)