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

Systemtic Name: methyl 3,4-diethyl-6-[4-(2-ethylhexanoylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 3,4-diethyl-6-[4-(2-ethylhexanoylamino)phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3,4-diethyl-6-[4-[(2-ethyl-1-oxohexyl)amino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 3,4-diethyl-6-[4-(2-ethylhexanoylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3,4-diethyl-6-[4-(2-ethylhexanoylamino)phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C24H35N3O3S MolecularWeight: 445.618

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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)CC)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C24H35N3O3S/c1-6-10-11-16(7-2)22(28)25-18-14-12-17(13-15-18)21-20(23(29)30-5)19(8-3)27(9-4)24(31)26-21/h12-16,21H,6-11H2,1-5H3,(H,25,28)(H,26,31)