ethyl (6S)-6-[4-(butanoylamino)phenyl]-3-ethyl-4-methyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl (6S)-6-[4-(butanoylamino)phenyl]-3-ethyl-4-methyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (6S)-6-[4-(butanoylamino)phenyl]-3-ethyl-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-3-ethyl-4-methyl-2-oxo-6-[4-(1-oxobutylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (6S)-6-[4-(butanoylamino)phenyl]-3-ethyl-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-6-(4-butyramidophenyl)-3-ethyl-2-keto-4-methyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C20H27N3O4 MolecularWeight: 373.44608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)[C@H]2C(=C(N(C(=O)N2)CC)C)C(=O)OCC

InChI

InChI=1S/C20H27N3O4/c1-5-8-16(24)21-15-11-9-14(10-12-15)18-17(19(25)27-7-3)13(4)23(6-2)20(26)22-18/h9-12,18H,5-8H2,1-4H3,(H,21,24)(H,22,26)/t18-/m0/s1