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

Systemtic Name: 2-methoxyethyl 3-ethyl-6-[4-(hexanoylamino)phenyl]-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: 2-methoxyethyl 3-ethyl-6-[4-(hexanoylamino)phenyl]-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-ethyl-4-methyl-6-[4-(1-oxohexylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 3-ethyl-6-[4-(hexanoylamino)phenyl]-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[4-(caproylamino)phenyl]-3-ethyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C23H33N3O4S MolecularWeight: 447.59082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33N3O4S/c1-5-7-8-9-19(27)24-18-12-10-17(11-13-18)21-20(22(28)30-15-14-29-4)16(3)26(6-2)23(31)25-21/h10-13,21H,5-9,14-15H2,1-4H3,(H,24,27)(H,25,31)