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

Systemtic Name: propan-2-yl (6S)-3-ethyl-6-[3-(hexanoylamino)phenyl]-4-methyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isopropyl (6S)-3-ethyl-6-[3-(hexanoylamino)phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-3-ethyl-4-methyl-2-oxo-6-[3-(1-oxohexylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl (6S)-3-ethyl-6-[3-(hexanoylamino)phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-6-[3-(caproylamino)phenyl]-3-ethyl-2-keto-4-methyl-1,6-dihydropyrimidine-5-carboxylic acid isopropyl ester Formula: C23H33N3O4 MolecularWeight: 415.52582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCC(=O)NC1=CC=CC(=C1)[C@H]2C(=C(N(C(=O)N2)CC)C)C(=O)OC(C)C

InChI

InChI=1S/C23H33N3O4/c1-6-8-9-13-19(27)24-18-12-10-11-17(14-18)21-20(22(28)30-15(3)4)16(5)26(7-2)23(29)25-21/h10-12,14-15,21H,6-9,13H2,1-5H3,(H,24,27)(H,25,29)/t21-/m0/s1