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

Systemtic Name: 2-methoxyethyl 3-ethyl-4-methyl-6-[4-(octanoylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: 2-methoxyethyl 3-ethyl-4-methyl-6-[4-(octanoylamino)phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-ethyl-4-methyl-6-[4-(1-oxooctylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 3-ethyl-4-methyl-6-[4-(octanoylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[4-(caprylylamino)phenyl]-3-ethyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C25H37N3O4S MolecularWeight: 475.64398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H37N3O4S/c1-5-7-8-9-10-11-21(29)26-20-14-12-19(13-15-20)23-22(24(30)32-17-16-31-4)18(3)28(6-2)25(33)27-23/h12-15,23H,5-11,16-17H2,1-4H3,(H,26,29)(H,27,33)