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

Systemtic Name: ethyl (6S)-3-ethyl-4-methyl-2-oxidanylidene-6-[3-(pentanoylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (6S)-3-ethyl-4-methyl-2-oxo-6-[3-(pentanoylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-3-ethyl-4-methyl-2-oxo-6-[3-(1-oxopentylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (6S)-3-ethyl-4-methyl-2-oxo-6-[3-(pentanoylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-3-ethyl-2-keto-4-methyl-6-[3-(valerylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C21H29N3O4 MolecularWeight: 387.47266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O4/c1-5-8-12-17(25)22-16-11-9-10-15(13-16)19-18(20(26)28-7-3)14(4)24(6-2)21(27)23-19/h9-11,13,19H,5-8,12H2,1-4H3,(H,22,25)(H,23,27)/t19-/m0/s1