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

Systemtic Name: ethyl 3-ethyl-4-methyl-6-[3-(2-methylbutanoylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-ethyl-4-methyl-6-[3-(2-methylbutanoylamino)phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-ethyl-4-methyl-6-[3-[(2-methyl-1-oxobutyl)amino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-ethyl-4-methyl-6-[3-(2-methylbutanoylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-ethyl-4-methyl-6-[3-(2-methylbutanoylamino)phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O3S/c1-6-13(4)19(25)22-16-11-9-10-15(12-16)18-17(20(26)27-8-3)14(5)24(7-2)21(28)23-18/h9-13,18H,6-8H2,1-5H3,(H,22,25)(H,23,28)